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64030-44-0 | (S)-N-(Pyrrolidin-2-ylmethyl)aniline
CAS No: 64030-44-0 Catalog No: AG003CG0 MDL No:MFCD00015890
Product Description
Catalog Number:
AG003CG0
Chemical Name:
(S)-N-(Pyrrolidin-2-ylmethyl)aniline
CAS Number:
64030-44-0
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD00015890
IUPAC Name:
N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
InChI:
InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1
InChI Key:
MCHWKJRTMPIHRA-NSHDSACASA-N
SMILES:
C1CN[C@@H](C1)CNc1ccccc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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