Basic information
- CAS
1430230-83-3- Standard SMILES
Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl- InChIKey
CXFSVKGROITHRY-TZMCWYRMSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- 2-Chloro-4-{[(1r,2r)-2-Hydroxy-2-Methylcyclopentyl]amino}-3-Methylbenzonitrile
- IUPAC
- 2-chloro-4-[[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino]-3-methylbenzonitrile
- English name
- 1430230-83-3
- Molecular formula
- C14H17ClN2O
- Molecular weight
- 264.75
Names & synonyms
CHEMBL37641851430230-83-32-Chloro-4-{[(1r,2r)-2-Hydroxy-2-Methylcyclopentyl]amino}-3-Methylbenzonitrile2-Chloro-4-(((1R,2R)-2-hydroxy-2-methylcyclopentyl)amino)-3-methylbenzonitrile2-chloro-4-[[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino]-3-methylbenzonitrileSCHEMBL14861529SCHEMBL29583173CXFSVKGROITHRY-TZMCWYRMSA-NDTXSID201358866LY305BDBM50145863Q27455402
Show more names
Benzonitrile, 2-chloro-4-[[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino]-3-methyl-
2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile51Y
Database identifiers
- CAS
1430230-83-3- PubChem CID
- 71543393
- DTXSID
DTXSID201358866- ChEMBL
CHEMBL3764185
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Chemistry & industry
Suppliers6 total
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Anhui Ruihan Technology Co., Ltd+undefined17756083858 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Xinsheng New Material Technology Co., LTD.+86-16632316109 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
1 records
Compound notes
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