Basic information
- CAS
140401-55-4- Standard SMILES
CC(C)(C)c1cccc(CN)c1- InChIKey
JPETYCDJGPTICO-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609954
Names & identifiers
- Preferred name
- (3-(tert-Butyl)phenyl)methanamine
- IUPAC
- (3-tert-butylphenyl)methanamine
- English name
- 1-(3-tert-butylphenyl)methanamine
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
(3-(tert-Butyl)phenyl)methanamine608515-16-8(3-tert-butylphenyl)methanamine3-tert-butylbenzylamine3-tert-Butyl-benzylamine1-(3-tert-Butylphenyl)methanamineMFCD092607853-(tert-butyl)benzylamineBenzenemethanamine, 3-(1,1-dimethylethyl)-AE-562/43286920SCHEMBL507652SCHEMBL14935817
Show more names
3-tert-Butyl-benzylamine hydrochloride(3-(tert-Butyl)phenyl)methanamine hydrochloride1-(3-tert-butylphenyl)methanamine hydrochlorideBenzenemethanamine, 3-(1,1-dimethylethyl)-, hydrochloride (1:1)
SCHEMBL27476979SCHEMBL27489642SCHEMBL27563766SCHEMBL28304018SCHEMBL297550083-tert-Butyl-benzylamine, 95%DTXSID00429090JPETYCDJGPTICO-UHFFFAOYSA-N
Database identifiers
- CAS
140401-55-4- PubChem CID
- 8167069
- DTXSID
DTXSID00429090
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2921440090 · 2921440090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921440090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers6 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
4 records
Compound notes
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