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114365-04-7 | Benzenemethanamine, 4-(1-pyrrolidinyl)-
CAS No: 114365-04-7 Catalog No: AG000B6G MDL No:MFCD04971090
Product Description
Catalog Number:
AG000B6G
Chemical Name:
Benzenemethanamine, 4-(1-pyrrolidinyl)-
CAS Number:
114365-04-7
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD04971090
IUPAC Name:
(4-pyrrolidin-1-ylphenyl)methanamine
InChI:
InChI=1S/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChI Key:
OCVQUKOCFUOCBM-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)N1CCCC1
Properties
Complexity:
144
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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