Basic information
- CAS
26177-45-7- Standard SMILES
Cc1ccc(CN)cc1.Cl- InChIKey
DVWNWBOKPLHBAP-UHFFFAOYSA-N- Molecular formula
- C8H12ClN
- Average molar mass
- 157.64 g/mol
- Monoisotopic mass
- 157.0658271
Names & identifiers
- Preferred name
- 4-Methylbenzylamine hydrochloride
- IUPAC
- (4-methylphenyl)methanamine;hydrochloride
Names & synonyms
4-methylbenzylamine hydrochlorideRefChem:91268526177-45-7SCHEMBL1938665p-methylbenzylamine hydrochlorideDTXSID80949049NSC5098DVWNWBOKPLHBAP-UHFFFAOYSA-NNSC-5098DS-0068971-(4-Methylphenyl)methanamine--hydrogen chloride (1/1)BENZENEMETHANAMINE,4-METHYL-, HYDROCHLORIDE (1:1)
Database identifiers
- CAS
26177-45-7- PubChem CID
- 12293100
- DTXSID
DTXSID80949049
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 72.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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