Basic information
- CAS
137036-55-6- Standard SMILES
NC1CCc2ccccc2NC1=O- InChIKey
AUAKXRGQXZRTQC-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.094963
Names & identifiers
- Preferred name
- 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
- IUPAC
- 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
- English name
- (R)-3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
86499-35-63-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one3-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-oneMFCD022588972H-1-BENZAZEPIN-2-ONE, 3-AMINO-1,3,4,5-TETRAHYDRO-3-Amino-1,3,4,5-tetrahydro-2H-benzazepin-2-one3-amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one(R)-3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
Show more names
R-3-AMino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one(3R)-3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one(3R)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one3(R)-Amino-2,3,4,5-Tetrahydro-1H-[1]Benzazepin-2-One(R)-3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one(3R)-3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one(R)-3-Amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one(R)-3-aMino-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3R)-2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3S)-SCHEMBL1270022SCHEMBL4700977SCHEMBL13904707DTXSID00403254AUAKXRGQXZRTQC-UHFFFAOYSA-NBBL011254
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 377.5 · 377.5±42.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.57 · 14.57±0.40(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers57 total
上海爱孜康医药研究有限公司18721109360 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉创浩生物科技有限公司13361917963 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
安徽联创生物医药股份有限公司0551-68779238 18056025720 · [email protected]
苏州莱克施德药业有限公司0512-63970158-603 18018108880 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
73 records
Compound notes
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