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178972-33-3 | Cyclohexanemethanol, 4-(aminomethyl)-, hydrochloride, trans- (9CI)
CAS No: 178972-33-3 Catalog No: AG0026JG MDL No:MFCD23115561
Product Description
Catalog Number:
AG0026JG
Chemical Name:
Cyclohexanemethanol, 4-(aminomethyl)-, hydrochloride, trans- (9CI)
CAS Number:
178972-33-3
Molecular Formula:
C8H18ClNO
Molecular Weight:
179.6876
MDL Number:
MFCD23115561
IUPAC Name:
[4-(aminomethyl)cyclohexyl]methanol;hydrochloride
InChI:
InChI=1S/C8H17NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h7-8,10H,1-6,9H2;1H
InChI Key:
RKXAGLQDXWJBSC-UHFFFAOYSA-N
SMILES:
NC[C@@H]1CC[C@H](CC1)CO.Cl
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.688g/mol
Monoisotopic Mass:
179.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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