2-(Benzylamino)-1-phenylethanol

HCID 229746
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
27159-30-4
Standard SMILES
OC(CNCc1ccccc1)c1ccccc1
InChIKey
XAOCLQUZOIZSHV-UHFFFAOYSA-N
Molecular formula
C15H17NO
Average molar mass
227.3 g/mol
Monoisotopic mass
227.13101416

Names & identifiers

Preferred name
2-(Benzylamino)-1-phenylethanol
IUPAC
2-(benzylamino)-1-phenylethanol
English name
2-(benzylamino)-1-phenyl-ethanol
Molecular formula
C15H17NO
Molecular weight
227.3

Names & synonyms

2-(benzylamino)-1-phenylethanol27159-30-4DTXSID90281967RefChem:253209DTXCID702331212-(benzylamino)-1-phenylethan-1-ol2-(benzylamino)-1-phenyl-ethanol(S)-2-(Benzylamino)-1-phenylethanolNSC23646Maybridge1_000417Oprea1_735277Benzenemethanol, a-[[(phenylmethyl)amino]methyl]-
Show more names
Benzenemethanol, α-[[(phenylmethyl)amino]methyl]-
MLS000833584SCHEMBL1849603CHEMBL1597861HMS542K21XAOCLQUZOIZSHV-UHFFFAOYSA-NHMS2797G20NSC-23646STL115232

Database identifiers

CAS
27159-30-4
PubChem CID
229746
DTXSID
DTXSID90281967
ChEMBL
CHEMBL1597861
Nikkaji
J392.406H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17

Experimental & physicochemical properties

Solubility>34.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
102 · 102-103 °C
Boiling point
375.2 · 375.2±12.0 °C(Predicted)
Density
1.1 · 1.100±0.06 g/cm3(Predicted)
pka
13.78 · 13.78±0.20(Predicted)

Chemistry & industry

Suppliers8 total

南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
天津安浩生物科技有限公司[email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…