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Home > Aldehydes > 1513532-46-1
1513532-46-1 | 2-[1-(AMINOMETHYL)-4-METHYLCYCLOHEXYL]-2-HYDROXYACETALDEHYDE
CAS No: 1513532-46-1 Catalog No: AG01BMRV MDL No:MFCD21805332
Product Description
Catalog Number:
AG01BMRV
Chemical Name:
2-[1-(AMINOMETHYL)-4-METHYLCYCLOHEXYL]-2-HYDROXYACETALDEHYDE
CAS Number:
1513532-46-1
Molecular Formula:
C10H19NO2
Molecular Weight:
185.2634
MDL Number:
MFCD21805332
IUPAC Name:
2-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxyacetaldehyde
InChI:
InChI=1S/C10H19NO2/c1-8-2-4-10(7-11,5-3-8)9(13)6-12/h6,8-9,13H,2-5,7,11H2,1H3
InChI Key:
GBTGIXMPAFRERS-UHFFFAOYSA-N
SMILES:
NCC1(CCC(CC1)C)C(C=O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.267g/mol
Monoisotopic Mass:
185.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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