N-benzyl-2-chloro-N-methylethanamine

HCID 31968
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Basic information

CAS
17542-47-1
Standard SMILES
CN(CCCl)Cc1ccccc1
InChIKey
JNTMWPCEVGHVML-UHFFFAOYSA-N
Molecular formula
C10H14ClN
Average molar mass
183.68 g/mol
Monoisotopic mass
183.08147713

Names & identifiers

Preferred name
N-benzyl-2-chloro-N-methylethanamine
IUPAC
N-benzyl-2-chloro-N-methylethanamine
English name
N-benzyl-2-chloro-N-methyl-ethanamine
Molecular formula
C10H14ClN
Molecular weight
183.68

Names & synonyms

N-benzyl-2-chloro-N-methylethanamine17542-47-1N-Benzyl-2-chloro-N-methylethan-1-amineBENZYL(2-CHLOROETHYL)METHYLAMINENSC448562-(N-benzyl-methylamino)-ethyl chlorideSCHEMBL2001215DTXSID20274943JNTMWPCEVGHVML-UHFFFAOYSA-NMFCD14614471N-benzyl-2-chloro-N-methylethylamineN-benzyl-N-methyl-2-chloroethylamine
Show more names
Butafenacil Impurity 2Benzyl-(2-chloro-ethyl)-methyl-amineN-benzyl-2-chloro-N-methyl-ethanamineBenzenemethanamine, N-(2-chloroethyl)-N-methyl-
NSC-44856AKOS010541891N-(2-chloroethyl)-N-methylbenzylamineN-benzyl-N-(2-chloroethyl)methylamineN-(2-chloroethyl)-N-benzyl-methylamine2-[N-Benzyl-N-methylamino]ethyl chlorideBenzylamine, N-(2-chloroethyl)-N-methyl-N-benzyl-N-(2- chloroethyl)-N-methylamine

Database identifiers

CAS
17542-47-1
PubChem CID
31968
DTXSID
DTXSID20274943
Nikkaji
J3.449.645E

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Boiling point
205.3 · 205.3±15.0 °C(Predicted)
Density
1.056 · 1.056±0.06 g/cm3(Predicted)
pka
7.45 · 7.45±0.50(Predicted)
InChI
InChI=1S/C10H14ClN/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
JNTMWPCEVGHVML-UHFFFAOYSA-N
SMILES
C1(CN(CCCl)C)=CC=CC=C1

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers20 total

湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海有吉医药化工有限公司021-50689757 15618953996 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]

Related reactions

20 records
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Compound notes

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