Allysine ethylene acetal

HCID 11041524CAS 215054-80-1

기본 정보

표준 SMILES: N[C@@H](CCCC1OCCO1)C(=O)O
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
분자식: C8H15NO4
평균 분자량: 189.21 g/mol
단동위원소 질량: 189.10010796

이름 및 식별자

우선 이름: Allysine ethylene acetal
IUPAC: (2S)-2-amino-5-(1,3-dioxolan-2-yl)pentanoic acid
영어명: (S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID
분자식: C8H15NO4
분자량: 189.21

이름 및 동의어

allysine ethylene acetalRefChem:405766L-Allysine ethylene acetal215054-80-1(2S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)PENTANOIC ACID(S)-2-Amino-5-(1,3-dioxolan-2-yl)pentanoic acidSCHEMBL231631CHEBI:184275DTXSID801262449MFCD07778443AKOS0062812125-(1,3-Dioxolan-2-yl)-L-norvaline

이름 더 보기

L-AllysinethylenacetalL-Allysine ethylene acetal >=98% (TLC)(αS)-α-Amino-1,3-dioxolane-2-pentanoic acid1,3-Dioxolane-2-pentanoic acid, α-amino-, (αS)-(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID USP/EP/BP

HY-W141990CS-0201778L-Allysine ethylene acetal, >=98% (TLC)(S)-alpha-amino-1,3-dioxolane-2-pentanoic acid5-(1,3-dioxolan-2-yl)-(S)-2-amino-pentanoic acid(I+/-S)-I+/--Amino-1,3-dioxolane-2-pentanoic acid

데이터베이스 식별자

CAS: 215054-80-1
PubChem CID: 11041524
DTXSID: DTXSID801262449
ChEBI: CHEBI:184275
EC Number: 606-785-1
Nikkaji: J1.255.141J

물성

구조 계산 물성

XLogP: -2.7
극성 표면적: 81.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 200 °C · >200 °C (decomp)
끓는 점: 338.7 · 338.7±27.0 °C(Predicted)
밀도: 1.208 · 1.208±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.53 · 2.53±0.24(Predicted)
물리적 상태: 고체
색상: 하얀색
주요 응용: 펩타이드 합성
InChI: 1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
SMILES: N[C@@H](CCCC1OCCO1)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 38 reports by companies.；There are 0 notifications provided by 0 of 38 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.