CAS
93839-64-6 Purity
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93839-64-6 Purity
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4-[(2-Aminobenzyl)amino]cyclohexan-1-ol
CAS
93839-70-4
Catalog Number
ACM93839704
Category
Other Products
Molecular Weight
220.3107
Molecular Formula
C13H20N2O
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Specification
Synonyms
EINECS 298-841-3, CID3022549, 4-((2-Aminobenzyl)amino)cyclohexan-1-ol, 93839-70-4
IUPAC Name
4-[(2-aminophenyl)methylamino]cyclohexan-1-ol
Canonical SMILES
C1CC(CCC1NCC2=CC=CC=C2N)O
InChI Key
UERRZQCPQRIPHN-UHFFFAOYSA-N
Boiling Point
401.6ºC at 760mmHg
Flash Point
196.7ºC
Density
1.12g/cm³
EC Number
298-841-3
Exact Mass
220.15800
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C13H20N2O.
What is the molecular weight of the compound?
The molecular weight of the compound is 220.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[(2-aminophenyl)methylamino]cyclohexan-1-ol.
What is the InChIKey of the compound?
The InChIKey of the compound is UERRZQCPQRIPHN-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1CC(CCC1NCC2=CC=CC=C2N)O.
What is the CAS number of the compound?
The CAS number of the compound is 93839-70-4.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.3.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 58.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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