1-Benzyl-3-(chloromethyl)pyrrolidine

HCID 12364518CAS 51535-01-4
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Basic information

Standard SMILES
ClCC1CCN(Cc2ccccc2)C1
InChIKey
QWGYCLIMHHUXSL-UHFFFAOYSA-N
Molecular formula
C12H16ClN
Average molar mass
209.71 g/mol
Monoisotopic mass
209.0971272

Names & identifiers

Preferred name
1-Benzyl-3-(chloromethyl)pyrrolidine
IUPAC
1-benzyl-3-(chloromethyl)pyrrolidine
English name
1-BENZYL-3-(CHLOROMETHYL)PYRROLIDINE
Molecular formula
C12H16ClN
Molecular weight
209.72

Names & synonyms

1-Benzyl-3-(chloromethyl)pyrrolidine51535-01-41-Benzyl-3-chloromethyl-pyrrolidinepyrrolidine, 3-(chloromethyl)-1-(phenylmethyl)-, hydrochloride3-(chloromethyl)-1-(phenylmethyl)pyrrolidineSCHEMBL5969122DTXSID20494361QWGYCLIMHHUXSL-UHFFFAOYSA-N1-Benzyl-3-chloromethylpyrrolidineALBB-013453AKOS005174186(3RS)-1-benzyl-3-chloromethyl pyrrolidine
Show more names
1-benzyl-3-(chloromethyl)pyrrolidine(SALTDATA: HCl)
CS-0358096E89239

Database identifiers

CAS
51535-01-4
PubChem CID
12364518
DTXSID
DTXSID20494361

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Boiling point
288 ℃ · 288℃
Density
1.1 · 1.100
Flash point
128 ℃ · 128℃
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers3 total

河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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