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176962-95-1 | Carbamimidic acid, 2-(dimethylamino)ethyl ester
CAS No: 176962-95-1 Catalog No: AG00250Z MDL No:
Product Description
Catalog Number:
AG00250Z
Chemical Name:
Carbamimidic acid, 2-(dimethylamino)ethyl ester
CAS Number:
176962-95-1
Molecular Formula:
C5H13N3O
Molecular Weight:
131.1762
IUPAC Name:
2-(dimethylamino)ethyl carbamimidate
InChI:
InChI=1S/C5H13N3O/c1-8(2)3-4-9-5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChI Key:
KDKCPOFMIOXTPG-UHFFFAOYSA-N
SMILES:
CN(CCOC(=N)N)C
Properties
Complexity:
92.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.106g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
131.179g/mol
Monoisotopic Mass:
131.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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