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113518-22-2 | 3-Butenenitrile, 3-[(3-aminopropyl)amino]-
CAS No: 113518-22-2 Catalog No: AG0008UU MDL No:
Product Description
Catalog Number:
AG0008UU
Chemical Name:
3-Butenenitrile, 3-[(3-aminopropyl)amino]-
CAS Number:
113518-22-2
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
3-(3-aminopropylamino)but-3-enenitrile
InChI:
InChI=1S/C7H13N3/c1-7(3-5-9)10-6-2-4-8/h10H,1-4,6,8H2
InChI Key:
QJJJDYNOXPEYRK-UHFFFAOYSA-N
SMILES:
NCCCNC(=C)CC#N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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