Basic information
- CAS
95207-68-4- Standard SMILES
Nc1ccc2c(c1)C(=O)CCCC2- InChIKey
ZQRDYXKTQPGKMC-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- IUPAC
- 3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
- English name
- 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
95207-68-43-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-oneMFCD000901765H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-NSC105605SCHEMBL4878376DTXSID90295807ZQRDYXKTQPGKMC-UHFFFAOYSA-NVDA20768AKOS006273857NSC-105605
Show more names
AS-36435SY148536CS-0007699EN300-1256393-amino-6,7,8,9-tetrahydrobenzocyclohepten-5-one3-Amino-6,7,8,9-tetrahydro-benzocycloheptene-5-one3-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-one3-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
Database identifiers
- CAS
95207-68-4- PubChem CID
- 266807
- DTXSID
DTXSID90295807
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海渤腾医药科技有限公司(86) 21 51969655
Related reactions
13 records
Compound notes
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