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851388-54-0 | Cyclopropanamine, 1-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS No: 851388-54-0 Catalog No: AG004WTC MDL No:
Product Description
Catalog Number:
AG004WTC
Chemical Name:
Cyclopropanamine, 1-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-
CAS Number:
851388-54-0
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
InChI:
InChI=1S/C14H20N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-/m1/s1
InChI Key:
CVIWGPQILYTQHX-CYBMUJFWSA-N
SMILES:
NC1(CC1)[C@@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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