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18471-40-4 | 1-Benzylpyrrolidin-3-amine
CAS No: 18471-40-4 Catalog No: AG003E0O MDL No:MFCD00059036
Product Description
Catalog Number:
AG003E0O
Chemical Name:
1-Benzylpyrrolidin-3-amine
CAS Number:
18471-40-4
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD00059036
IUPAC Name:
1-benzylpyrrolidin-3-amine
InChI:
InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
InChI Key:
HBVNLKQGRZPGRP-UHFFFAOYSA-N
SMILES:
NC1CCN(C1)Cc1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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