Basic information
- CAS
1259393-33-3- Standard SMILES
Cc1cc(C)c2c(c1)[C@@H](Nc1nnn(C)n1)CCCN2- InChIKey
QBJHHMCILXORIR-LBPRGKRZSA-N- Molecular formula
- C14H20N6
- Average molar mass
- 272.35 g/mol
- Monoisotopic mass
- 272.17494466
Names & identifiers
- Preferred name
- (5S)-7,9-dimethyl-N-(2-methyltetrazol-5-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
- IUPAC
- (5S)-7,9-dimethyl-N-(2-methyltetrazol-5-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
- English name
- (S)-7.9-dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2.3.4.5-tetrahydro-1H-benzo[b]azepin-5-amine
- Molecular formula
- C14H20N6
- Molecular weight
- 272.35
Names & synonyms
(5S)-7,9-dimethyl-N-(2-methyltetrazol-5-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine1259393-33-3(S)-7,9-Dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine(5S)-7,9-dimethyl-N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amineSCHEMBL109512QBJHHMCILXORIR-LBPRGKRZSA-Nevacetrapib Intermediate1(S)-7.9-dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2.3.4.5-tetrahydro-1H-benzo[b]azepin-5-amine(S)-7,9-Dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-5-amine
Database identifiers
- CAS
1259393-33-3- PubChem CID
- 59635334
- Nikkaji
- J3.207.828A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Chemistry & industry
Suppliers9 total
杭州澳赛诺生物科技有限公司+86-571-88180350 +86-13588846430 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海智乾生物科技有限公司[email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
苏利制药科技江阴有限公司021-58086325-8060 13636568474 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
2 records
Compound notes
Loading…