Basic information
- CAS
90389-89-2- Standard SMILES
CC(C)NCc1cccc(Cl)c1- InChIKey
QHMAGMOPVYVISF-UHFFFAOYSA-N- Molecular formula
- C10H14ClN
- Average molar mass
- 183.68 g/mol
- Monoisotopic mass
- 183.0814771
Names & identifiers
- Preferred name
- [(3-Chlorophenyl)methyl](propan-2-yl)amine
- IUPAC
- N-[(3-chlorophenyl)methyl]propan-2-amine
- English name
- N-(3-CHLOROBENZYL)-N-ISOPROPYLAMINE
- Molecular formula
- C10H14ClN
- Molecular weight
- 183.68
Names & synonyms
90389-89-2[(3-chlorophenyl)methyl](propan-2-yl)amineN-(3-Chlorophenylmethyl)isopropylamineBenzenemethanamine, 3-chloro-N-(1-methylethyl)-N-[(3-chlorophenyl)methyl]propan-2-amineN-(3-Chlorobenzyl)propan-2-amineMFCD06408101CHEMBL1178111SCHEMBL12000668SCHEMBL30471855DTXSID50238119QDA38989
Show more names
UKRORGSYN-BB BBV-050116AKOS000159042N-(3-CHLOROBENZYL)-N-ISOPROPYLAMINE3-Chloro-N-(1-methylethyl)benzenemethanamineEN300-32127C78565F522987Z86129878
Database identifiers
- CAS
90389-89-2- PubChem CID
- 485397
- DTXSID
DTXSID50238119- ChEMBL
CHEMBL1178111
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 239.6 · 239.6±15.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.36 · 9.36±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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