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1558992-66-7 | 2-[1-(AMINOMETHYL)-3-METHYLCYCLOHEXYL]-2-HYDROXYACETALDEHYDE
CAS No: 1558992-66-7 Catalog No: AG01BMWI MDL No:MFCD21805333
Product Description
Catalog Number:
AG01BMWI
Chemical Name:
2-[1-(AMINOMETHYL)-3-METHYLCYCLOHEXYL]-2-HYDROXYACETALDEHYDE
CAS Number:
1558992-66-7
Molecular Formula:
C10H19NO2
Molecular Weight:
185.2634
MDL Number:
MFCD21805333
IUPAC Name:
2-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxyacetaldehyde
InChI:
InChI=1S/C10H19NO2/c1-8-3-2-4-10(5-8,7-11)9(13)6-12/h6,8-9,13H,2-5,7,11H2,1H3
InChI Key:
BHZXNEDZQITCGH-UHFFFAOYSA-N
SMILES:
O=CC(C1(CN)CCCC(C1)C)O
Properties
Complexity:
184
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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