Methyl [(phenylmethylidene)amino]acetate

HCID 4169153CAS 66646-88-6

기본 정보

표준 SMILES: COC(=O)CN=Cc1ccccc1
InChIKey: YOIONBBMZSLNLR-UHFFFAOYSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol

이름 및 식별자

우선 이름: Methyl [(phenylmethylidene)amino]acetate
IUPAC: methyl 2-(benzylideneamino)acetate
영어명: METHYL ((PHENYLMETHYLIDENE)AMINO ACETAT&
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 183

물리화학적 성질

끓는 점: 94 · 94-100 °C0.15 mm Hg(lit.)
밀도: 1.104 g/mL · 1.104 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5480(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 2.7 · 2.70±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.