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88192-22-7 | 6-HEPTYNE-2,5-DIAMINE
CAS No: 88192-22-7 Catalog No: AG004C61 MDL No:
Product Description
Catalog Number:
AG004C61
Chemical Name:
6-HEPTYNE-2,5-DIAMINE
CAS Number:
88192-22-7
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
IUPAC Name:
(2R,5R)-hept-6-yne-2,5-diamine
InChI:
InChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h1,6-7H,4-5,8-9H2,2H3/t6-,7+/m1/s1
InChI Key:
QIADQCOYEFCREQ-RQJHMYQMSA-N
SMILES:
CC(CCC(C#C)N)N
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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