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1247119-31-8 | 2,5-Hexanediamine, 1,6-diphenyl-, hydrochloride (1:2), (2R,5R)-
CAS No: 1247119-31-8 Catalog No: AG000MNC MDL No:
Product Description
Catalog Number:
AG000MNC
Chemical Name:
2,5-Hexanediamine, 1,6-diphenyl-, hydrochloride (1:2), (2R,5R)-
CAS Number:
1247119-31-8
Molecular Formula:
C18H26Cl2N2
Molecular Weight:
341.3184
IUPAC Name:
(2R,5R)-1,6-diphenylhexane-2,5-diamine;dihydrochloride
InChI:
InChI=1S/C18H24N2.2ClH/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,19-20H2;2*1H/t17-,18-;;/m1../s1
InChI Key:
XTTBTZPGZLVADL-RKDOVGOJSA-N
SMILES:
N[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)N.Cl.Cl
EC Number:
700-856-1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
340.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
341.32g/mol
Monoisotopic Mass:
340.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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