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89051-41-2 | Butanamide, 2-amino-N-(2-aminoethyl)-3-mercapto-3-methyl-
CAS No: 89051-41-2 Catalog No: AG0041E7 MDL No:
Product Description
Catalog Number:
AG0041E7
Chemical Name:
Butanamide, 2-amino-N-(2-aminoethyl)-3-mercapto-3-methyl-
CAS Number:
89051-41-2
Molecular Formula:
C7H17N3OS
Molecular Weight:
191.2944
IUPAC Name:
2-amino-N-(2-aminoethyl)-3-methyl-3-sulfanylbutanamide
InChI:
InChI=1S/C7H17N3OS/c1-7(2,12)5(9)6(11)10-4-3-8/h5,12H,3-4,8-9H2,1-2H3,(H,10,11)
InChI Key:
NDRCLLNLDOCKJX-UHFFFAOYSA-N
SMILES:
NCCNC(=O)C(C(S)(C)C)N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.109g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
191.293g/mol
Monoisotopic Mass:
191.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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