N-Benzylglycine ethyl ester (HCID 80908)

이름 및 식별자

우선 이름: N-Benzylglycine ethyl ester
IUPAC: ethyl 2-(benzylamino)acetate
영어명: N-Benzylglycine ethyl ester
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

N-Benzylglycine ethyl ester6436-90-4Ethyl N-(phenylmethyl)glycinateDTXSID90214578RefChem:1091619DTXCID20137069229-218-6ethyl 2-(benzylamino)acetateEthyl (benzylamino)acetateBzl-Gly-OEtGlycine, N-(phenylmethyl)-, ethyl estern-benzyl glycine ethyl ester

이름 더 보기

AKOS 229C11H15NO2N-BZL-GLY-OETN-Bzl-Gly-Oet-OHTIMTEC-BB SBB003613Ethyl N-benzylglycine

MFCD00009174Ethyl N-benzylglycinateEthyl benzylaminoacetatebenzylamino-acetic acid ethyl esterethyl 2-[benzylamino]acetateethyl benzylglycinateN-Benzyl-glycine ethyl estern-(phenylmethyl)glycine ethyl ester

데이터베이스 식별자

CAS: 6436-90-4
PubChem CID: 80908
DTXSID: DTXSID90214578
UNII: F78Q9SH2Z3
EC Number: 229-218-6
Nikkaji: J62.853K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 165

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 140 · 140-142 °C/10 mmHg (lit.)
밀도: 1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.506(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 6.84 · 6.84±0.20(Predicted)
색상: 무색투명~연황색
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 2104816 · 2104816
InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey: ULOLIZHBYWAICY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CNCC1=CC=CC=C1
NIST: N-Benzylglycine ethyl ester(6436-90-4)

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN2735
HS 번호: 29224999
risk_code: 34-36/37/38-20/21/22
hazard_code: C,Xi,Xn
safety_code: 23-24/25-45-36/37/39-26-36

화학 및 산업

응용 분야

용도N-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.