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72139-48-1 | 2-Propenenitrile, 3-amino-3-(1-pyrrolidinyl)-
CAS No: 72139-48-1 Catalog No: AG005JTC MDL No:MFCD00793938
Product Description
Catalog Number:
AG005JTC
Chemical Name:
2-Propenenitrile, 3-amino-3-(1-pyrrolidinyl)-
CAS Number:
72139-48-1
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
MDL Number:
MFCD00793938
IUPAC Name:
3-amino-3-pyrrolidin-1-ylprop-2-enenitrile
InChI:
InChI=1S/C7H11N3/c8-4-3-7(9)10-5-1-2-6-10/h3H,1-2,5-6,9H2
InChI Key:
PUCLWILRXDULKY-UHFFFAOYSA-N
SMILES:
N#CC=C(N1CCCC1)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.186g/mol
Monoisotopic Mass:
137.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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