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1366386-58-4

1366386-58-4 | 1,4-Cyclohexanediamine, N1-[(3-chlorophenyl)methyl]-, hydrochloride (1:1), trans-

CAS No: 1366386-58-4 Catalog No: AG00125P MDL No:MFCD21098578

Product Description

Catalog Number:
AG00125P
Chemical Name:
1,4-Cyclohexanediamine, N1-[(3-chlorophenyl)methyl]-, hydrochloride (1:1), trans-
CAS Number:
1366386-58-4
Molecular Formula:
C13H20Cl2N2
Molecular Weight:
275.2173
MDL Number:
MFCD21098578
IUPAC Name:
4-N-[(3-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
InChI:
InChI=1S/C13H19ClN2.ClH/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13;/h1-3,8,12-13,16H,4-7,9,15H2;1H
InChI Key:
ZYHDKKZAZLFKKR-UHFFFAOYSA-N
SMILES:
N[C@@H]1CC[C@H](CC1)NCc1cccc(c1)Cl.Cl

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
275.217g/mol
Monoisotopic Mass:
274.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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