Basic information
- CAS
42074-16-8- Standard SMILES
ClCCNCc1ccccc1- InChIKey
XTXGPBAONFJRNO-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.0658271
Names & identifiers
- Preferred name
- N-Benzyl-2-chloroethan-1-amine
- IUPAC
- N-benzyl-2-chloroethanamine
- English name
- N-Benzyl-N-(2-chloroethyl)amine
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
42074-16-8N-Benzyl-2-chloroethan-1-amineDTXSID70274731RefChem:1091576DTXCID30226190N-Benzyl-N-(2-chloroethyl)amineN-benzyl-2-chloroethanamineN-Benzyl-2-chloroethylamineN-Benzyl-2-chloro-ethanamineMFCD01005550benzyl(2-chloroethyl)amineN-(2-Chloroethyl)benzylamine
Show more names
Revefenacin Impurity 139N-Benzyl-2-chloroethylamine 90+%Benzenemethanamine, N-(2-chloroethyl)-N-(2-Chloroethyl)benzylamine, Benzyl(2-chloroethyl)amine
N-(2-chloroethyl)benzenemethanamine(2-chloroethyl)benzylamineN-Benzyl-2-chlorethylamineSCHEMBL7332231SCHEMBL10657165XTXGPBAONFJRNO-UHFFFAOYSA-NGAA28863NSC238116
Database identifiers
- CAS
42074-16-8- PubChem CID
- 22713
- DTXSID
DTXSID70274731- Nikkaji
- J1.861.977F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Boiling point
- 245.1 · 245.1±23.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.19(Predicted)
- form
- crystals
- color
- WHITE TO OFF WHITE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
13 records
Compound notes
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