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100868-17-5 | 2,3-Butanediamine, N2-ethyl-
CAS No: 100868-17-5 Catalog No: AG00031R MDL No:
Product Description
Catalog Number:
AG00031R
Chemical Name:
2,3-Butanediamine, N2-ethyl-
CAS Number:
100868-17-5
Molecular Formula:
C6H16N2
Molecular Weight:
116.2046
IUPAC Name:
3-N-ethylbutane-2,3-diamine
InChI:
InChI=1S/C6H16N2/c1-4-8-6(3)5(2)7/h5-6,8H,4,7H2,1-3H3
InChI Key:
LLGJLRPFCYMOGI-UHFFFAOYSA-N
SMILES:
CCNC(C(N)C)C
Properties
Complexity:
54.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.131g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.208g/mol
Monoisotopic Mass:
116.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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