2,2'-((Phenylmethyl)imino)bisethanol

HCID 7553CAS 101-32-6

Substructure search Find similar structures

Basic information

Standard SMILES: OCCN(CCO)Cc1ccccc1
InChIKey: MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Molecular formula: C11H17NO2
Average molar mass: 195.26 g/mol
Monoisotopic mass: 195.12592878

Names & identifiers

Preferred name: 2,2'-((Phenylmethyl)imino)bisethanol
IUPAC: 2-[benzyl(2-hydroxyethyl)amino]ethanol
English name: 2,2'-(Benzylimino)diethanol
Molecular formula: C11H17NO2
Molecular weight: 195.26

Names & synonyms

2,2'-((Phenylmethyl)imino)bisethanol2,2'-[(phenylmethyl)imino]bisethanol2,2'-[(Phenylmethyl)imino]bis[ethanol]2,2'-((Phenylmethyl)imino)bis(ethanol)RefChem:440092202-934-6101-32-6N-Benzyldiethanolamine2,2'-(benzylazanediyl)diethanol2,2'-(Benzylimino)diethanolEthanol, 2,2'-[(phenylmethyl)imino]bis-2,2-(BENZYLIMINO)DIETHANOL

Show more names

BUTTPARK 145\50-272,2’-(benzylimino)di-ethanoN-Benzyldiethanolamine 95+%benzylbis(2-hydroxyethyl)amine2,2'-(Benzylimino)bis(ethanol)

Ethanol, 2,2'-(benzylimino)di-2-[2-Hydroxyethyl(phenylmethyl)amino]ethanolN,N-Bis(2-hydroxyethyl)benzylamineBENZYLDIETHANOLAMINE2-[benzyl(2-hydroxyethyl)amino]ethan-1-ol2-[benzyl(2-hydroxyethyl)amino]ethanol2-[Benzyl(2-hydroxyethyl)amino]-1-ethanolMFCD00020587

Database identifiers

CAS: 101-32-6
PubChem CID: 7553
DTXSID: DTXSID50143618
ChEMBL: CHEMBL425114
UNII: 9CH4Q34B2G
EC Number: 202-934-6
Nikkaji: J12D

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 129

Physicochemical properties

Melting point: 196.5 °C · 196.5 °C(Solv: benzene (71-43-2))
Boiling point: 226 °C · 226°C(lit.)
Density: 1.09 · 1.09
refractive index: 1.537 to · 1.5370 to 1.5410
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 14.39 · 14.39±0.10(Predicted)
color: Colorless to Yellow to Orange
InChI: InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKey: MIZIOHLLYXVEHJ-UHFFFAOYSA-N
SMILES: N(CCO)(CCO)CC1=CC=CC=C1
CAS DataBase Reference: 101 · 101-32-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
RTECS: 7538000 · KJ7538000
HazardClass: IRRITANT
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Safety data

rtecs: KJ7538000
hs_code: 2922190090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313