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130927-84-3 | 3-Pyrrolidineethanamine, 1-(phenylmethyl)-
CAS No: 130927-84-3 Catalog No: AG000V45 MDL No:MFCD03790943
Product Description
Catalog Number:
AG000V45
Chemical Name:
3-Pyrrolidineethanamine, 1-(phenylmethyl)-
CAS Number:
130927-84-3
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD03790943
IUPAC Name:
2-(1-benzylpyrrolidin-3-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C13H20N2.ClH/c14-8-6-13-7-9-15(11-13)10-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
InChI Key:
CNYPSIYHCLYKOV-UHFFFAOYSA-N
SMILES:
NCCC1CCN(C1)Cc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.139g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.775g/mol
Monoisotopic Mass:
240.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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