Basic information
- CAS
321330-31-8- Standard SMILES
N#Cc1ccc2c(c1)CCCC2N- InChIKey
IGJCZZMPAPFDGB-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004838
Names & identifiers
- Preferred name
- 5-Amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
- IUPAC
- 5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
- English name
- 1-Amino-6-cyano-1,2,3,4-tetrahydronaphthylene
- Molecular formula
- C11H12N2
- Molecular weight
- 172.23
Names & synonyms
5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile321330-31-8(1R)-1-AMINOTETRALIN-6-CARBONITRILE1-Amino-6-cyano-1,2,3,4-tetrahydronaphthylene1-aminotetralin-6-carbonitrileSCHEMBL4142891CHEMBL4534180SCHEMBL31741085DTXSID70699723IGJCZZMPAPFDGB-UHFFFAOYSA-NAKOS006294217CS-0528626
Show more names
2-(2-isopropoxyphenyl)piperidine2-Naphthalenecarbonitrile, 5-amino-5,6,7,8-tetrahydro-
EN300-1482295-amino-5,6,7,8-tetrahydro-naphthalen-2-carbonitrile5-amino-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile
Database identifiers
- CAS
321330-31-8- PubChem CID
- 53428068
- DTXSID
DTXSID70699723- ChEMBL
CHEMBL4534180
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Chemistry & industry
Suppliers4 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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