(S)-3-[1-(Dimethylamino)ethyl]phenol
Properties
- Molecular formula
- C10H15NO
- Molar mass
- 165.24 g/mol
- Exact mass
- 165.1154 Da
- Melting point
- 101–102 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 23.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation75% of notifiers
- H317 May cause an allergic skin reaction25% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
139306-10-8SMILES
C[C@@H](c1cccc(O)c1)N(C)CInChIKey
GQZXRLWUYONVCP-QMMMGPOBSA-NInChI
InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-
- Phenol, 3-[1-(dimethylamino)ethyl]-, (S)-
- 3-[(1S)-1-(Dimethylamino)ethyl]phenol
- NAP 226-90
Work with (S)-3-[1-(Dimethylamino)ethyl]phenol
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Isopropylphenol618-45-158 % similar
(alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-157 % similar
(αR)-N,N,α-Trimethylbenzenemethanamine19342-01-957 % similar
3-(Dimethylamino)phenol99-07-044 % similar
Tapentadol hydrochloride175591-09-043 % similar
Resorcinol108-46-343 % similar
(-)-Phenylephrine59-42-743 % similar
Rivastigmine123441-03-242 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.