Azepanes

1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Acros Organics™

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

1,8-Diazabicyclo[5.4.0]undec-7-ene, 99%, Alfa Aesar™

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

Hexamethyleneimine, 99%, ACROS Organics™

CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.17 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: 1h-azepine, hexahydro PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1

1,8-Diazabicyclo[5.4.0]-7-undecene 98.0+%, TCI America™

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

AK 7, Tocris Bioscience™

CAS: 420831-40-9 Molecular Formula: C19H21BrN2O3S Molecular Weight (g/mol): 437.352 InChI Key: IYAYHZZWYNXHEQ-UHFFFAOYSA-N Synonym: 3-1-azepanylsulfonyl-n-3-bromophenyl benzamide PubChem CID: 1328033 IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br

Alfa Aesar™ 1-(4-Nitrophenyl)azepane, 97%

CAS: 13663-23-5 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD00156364 InChI Key: WXAAQKMTSQDMII-UHFFFAOYSA-N Synonym: 1-4-nitro-phenyl-azepane PubChem CID: 83639 IUPAC Name: 1-(4-nitrophenyl)azepane SMILES: C1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Alfa Aesar™ N-Boc-hexahydro-1H-azepin-4-one, 98%

CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.277 MDL Number: MFCD03788435 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: 1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride, 97%, Alfa Aesar™

CAS: 54745-74-3 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.618 MDL Number: MFCD09800611 InChI Key: XADOTNAXKKFKDY-UHFFFAOYSA-N Synonym: 8-oxa-3-aza-bicyclo 3.2.1 octane hcl PubChem CID: 21983536 IUPAC Name: 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride SMILES: C1CC2CNCC1O2.Cl

Alfa Aesar™ 2-(Hexamethyleneimino)ethyl chloride hydrochloride, 98%

CAS: 26487-67-2 Molecular Formula: C8H17Cl2N Molecular Weight (g/mol): 198.131 MDL Number: MFCD00012842 InChI Key: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Synonym: 1-2-chloroethyl azepane hcl PubChem CID: 24188283 IUPAC Name: 1-(2-chloroethyl)azepane;hydrochloride SMILES: C1CCCN(CC1)CCCl.Cl

Alfa Aesar™ 1-(2-Fluoro-4-nitrophenyl)azepane, 97%

CAS: 250371-80-3 Molecular Formula: C12H15FN2O2 Molecular Weight (g/mol): 238.262 InChI Key: LJVYPBVHNCEVFI-UHFFFAOYSA-N Synonym: 1-2-fluoro-4-nitrophenyl azepane PubChem CID: 2872204 IUPAC Name: 1-(2-fluoro-4-nitrophenyl)azepane SMILES: C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F

Alfa Aesar™ 4-Azepanone hydrochloride, 96%

CAS: 50492-22-3 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.618 MDL Number: MFCD02183487 InChI Key: WFTRLIZPJMFJER-UHFFFAOYSA-N Synonym: 4-azepanone hydrochloride PubChem CID: 22021728 IUPAC Name: azepan-4-one;hydrochloride SMILES: C1CC(=O)CCNC1.Cl

N-BOC-Hexahydro-1H-azepin-4-one, 97%, ACROS Organics™

CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: 1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

Alfa Aesar™ Hexamethyleneimine, 98+%

CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.177 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: 1h-azepine, hexahydro PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1

Alfa Aesar™ N-(2-Hydroxyethyl)hexamethyleneimine, 95%

CAS: 20603-00-3 Molecular Formula: C8H17NO Molecular Weight (g/mol): 143.23 MDL Number: MFCD00020988 InChI Key: VMRYMOMQCYSPHS-UHFFFAOYSA-N Synonym: 1-2-hydroxyethyl homopiperidine PubChem CID: 88615 IUPAC Name: 2-(azepan-1-yl)ethanol SMILES: C1CCCN(CC1)CCO

Alfa Aesar™ 2-(3-Piperidinyl)azepane, tech. 90%

CAS: 912771-29-0 Molecular Formula: C11H22N2 Molecular Weight (g/mol): 182.311 MDL Number: MFCD08277605 InChI Key: NILYFVLXUNTUTG-UHFFFAOYSA-N Synonym: 2-3-piperidinyl azepane PubChem CID: 16740519 IUPAC Name: 2-piperidin-3-ylazepane SMILES: C1CCC(NCC1)C2CCCNC2

Phthalimide DBU Salt 98.0+%, TCI America™

CAS: 119812-51-0 Molecular Formula: C17H21N3O2 Molecular Weight (g/mol): 299.374 MDL Number: MFCD00191683 InChI Key: BLFUSYFCQXDQCF-UHFFFAOYSA-N Synonym: DBU Phthalimide Salt, Phthalimide 1,8-Diazabicyclo[5.4.0]undec-7-ene Salt PubChem CID: 14331607 IUPAC Name: isoindole-1,3-dione;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O

1-(2-Chloroethyl)-1H-hexahydroazepine Hydrochloride 98.0+%, TCI America™

CAS: 26487-67-2 Molecular Formula: C8H17Cl2N Molecular Weight (g/mol): 198.131 MDL Number: MFCD00012842 InChI Key: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Synonym: 1-2-chloroethyl azepane hcl PubChem CID: 24188283 IUPAC Name: 1-(2-chloroethyl)azepane;hydrochloride SMILES: C1CCCN(CC1)CCCl.Cl

Hexamethyleneammonium Hexamethylenedithiocarbamate 97.0+%, TCI America™

CAS: 2608-11-9 Molecular Formula: C13H26N2S2 Molecular Weight (g/mol): 274.49 MDL Number: MFCD00036327 InChI Key: CIPHOUPBLAOEKY-UHFFFAOYSA-N Synonym: Hexamethylenedithiocarbamic Acid Hexamethyleneammonium Salt PubChem CID: 164998 IUPAC Name: azepane;azepane-1-carbodithioic acid SMILES: C1CCCNCC1.C1CCCN(CC1)C(=S)S

Hexamethyleneimine 98.0+%, TCI America™

CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.177 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: 1h-azepine, hexahydro PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1

Azelastine Hydrochloride 98.0+%, TCI America™

CAS: 79307-93-0 Molecular Formula: C22H25Cl2N3O Molecular Weight (g/mol): 418.362 MDL Number: MFCD00242783 InChI Key: YEJAJYAHJQIWNU-UHFFFAOYSA-N Synonym: 4-(4-Chlorobenzyl)-2-(1-methylazepan-4-yl)-1-phthalazinone Hydrochloride PubChem CID: 50986914 ChEBI: CHEBI:2951 IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydron;chloride SMILES: [H+].CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.[Cl-]

Molinate, SPEX CertiPrep™

Chemical Name or Material: Molinate CAS: 2212-67-1 CAS Min %: 0.1 CAS Max %: 0.1 CAS: 64-18-6 CAS Min %: 99.9 CAS Max %: 99.9

epsilon-Thiocaprolactam 98.0+%, TCI America™

CAS: 7203-96-5 Molecular Formula: C6H11NS Molecular Weight (g/mol): 129.221 MDL Number: MFCD00006937 InChI Key: APLHDUWNMGJBFD-UHFFFAOYSA-N Synonym: Hexahydro-2-azepinethione, 2-Thioxohexamethyleneimine PubChem CID: 3003736 IUPAC Name: azepane-2-thione SMILES: C1CCC(=S)NCC1

1-Aminohomopiperidine 97.0+%, TCI America™

CAS: 5906-35-4 Molecular Formula: C6H14N2 Molecular Weight (g/mol): 114.192 MDL Number: MFCD00003260 InChI Key: UGBKOURNNQREPE-UHFFFAOYSA-N Synonym: 1,1-hexamethylenehydrazine PubChem CID: 22198 IUPAC Name: azepan-1-amine SMILES: C1CCCN(CC1)N

TC 1698 dihydrochloride, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 787587-06-8 Molecular Formula: C13H20Cl2N2 Molecular Weight (g/mol): 275.217 InChI Key: ZQUQBCHNSBJMCG-UHFFFAOYSA-N Synonym: 2-3-pyridinyl-1-azabicyclo 3.2.2 nonane dihydrochloride PubChem CID: 21094258 IUPAC Name: 2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane;dihydrochloride SMILES: C1CC(N2CCC1CC2)C3=CN=CC=C3.Cl.Cl

PTAC oxalate, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 201939-40-4 Molecular Formula: C14H21N3O4S2 Molecular Weight (g/mol): 359.459 InChI Key: LXXQOVMTAFXOKQ-IYPAPVHQSA-N Synonym: 1r,5r,6r-6-4-propylthio-1,2,5-thiadiazol-3-yl-1-azabicyclo 3.2.1 octane oxalate PubChem CID: 90488949 IUPAC Name: 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-propylsulfanyl-1,2,5-thiadiazole;oxalic acid SMILES: CCCSC1=NSN=C1C2CN3CCCC2C3.C(=O)(C(=O)O)O

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