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936225-49-9 | 3-benzylpyrrolidine hydrochloride
CAS No: 936225-49-9 Catalog No: AG01FLXO MDL No:MFCD08460458
Product Description
Catalog Number:
AG01FLXO
Chemical Name:
3-benzylpyrrolidine hydrochloride
CAS Number:
936225-49-9
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD08460458
IUPAC Name:
3-benzylpyrrolidine;hydrochloride
InChI:
InChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-5,11-12H,6-9H2;1H
InChI Key:
MOHPRQHABSPJSO-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Cc1ccccc1.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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