CAS 66646-88-6 Methyl [(phenylmethylidene)amino]acetate (HCID 4169153)

Substructure search Find similar structures

Basic information

CAS: 66646-88-6
Standard SMILES: COC(=O)CN=Cc1ccccc1
InChIKey: YOIONBBMZSLNLR-UHFFFAOYSA-N
Molecular formula: C10H11NO2
Average molar mass: 177.2 g/mol

Names & identifiers

Preferred name: Methyl [(phenylmethylidene)amino]acetate
IUPAC: methyl 2-(benzylideneamino)acetate
English name: METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&
Molecular formula: C10H11NO2
Molecular weight: 177.2

Names & synonyms

Methyl [(phenylmethylidene)amino]acetateMethyl ((phenylmethylidene)amino)acetateRefChem:811871625-605-2Methyl 2-(benzylideneamino)acetate66646-88-6(E)-methyl 2-(benzylideneamino)acetate138495-05-3Methyl (E)-2-(benzylideneamino)acetateMethyl-2-(benzylideneamino)acetateGlycine, N-(phenylmethylene)-, methyl esterMFCD03701585

Show more names

METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&[(phenylmethylisoyl)amino]acetic acidmethyl ester

methyl (benzylideneamino)acetateN-Benzylideneglycine methyl esterMethyl (E)-N-benzylideneglycinateN-(phenylmethylene)glycine methyl esterstarbld0011751(benzylidene-amino)-acetic acid methyl estermethyl n-benzylideneglycinateSCHEMBL687935

Database identifiers

CAS: 66646-88-6
PubChem CID: 4169153
DTXSID: DTXSID90400212
EC Number: 625-605-2
Nikkaji: J343.826K、J853.490J

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Boiling point: 94 · 94-100 °C0.15 mm Hg(lit.)
Density: 1.104 g/mL · 1.104 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5480(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 2.7 · 2.70±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362