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115445-21-1 | 3-Pyrrolidinamine, N-ethyl-1-(phenylmethyl)-
CAS No: 115445-21-1 Catalog No: AG000G0H MDL No:MFCD00191305
Product Description
Catalog Number:
AG000G0H
Chemical Name:
3-Pyrrolidinamine, N-ethyl-1-(phenylmethyl)-
CAS Number:
115445-21-1
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD00191305
IUPAC Name:
1-benzyl-N-ethylpyrrolidin-3-amine
InChI:
InChI=1S/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChI Key:
ZSIUSRJKSLXIJH-UHFFFAOYSA-N
SMILES:
CCNC1CCN(C1)Cc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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