(2S)-2-amino-3-(tert-butoxy)propanoic acid

HCID 7004940

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18822-58-7
표준 SMILES: CC(C)(C)OC[C@H](N)C(=O)O
InChIKey: DDCPKNYKNWXULB-YFKPBYRVSA-N
분자식: C7H15NO3
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.10519334

이름 및 식별자

우선 이름: (2S)-2-amino-3-(tert-butoxy)propanoic acid
IUPAC: (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
영어명: H-Ser(tBu)-OH
분자식: C7H15NO3
분자량: 161.2

이름 및 동의어

(2S)-2-amino-3-(tert-butoxy)propanoic acidRefChem:398298O-(1,1-Dimethylethyl)-L-serine606-131-518822-58-7H-Ser(tBu)-OHO-tert-Butyl-L-serineO-(tert-butyl)-L-serineL-Serine, O-(1,1-dimethylethyl)-(S)-2-Amino-3-(tert-butoxy)propanoic acido-tert-butylserineMFCD00066088

이름 더 보기

Ser(tBu)L-Ser(tBu)-OHH-L-Ser(tBu)-OHH-Ser(Tub)-OHH-SER(BUT)-OHSERINE(TBU)-OH

(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acidO-t-BUTYL-L-SERINESerine tert-butyl etherUNII-BX0H592PICBX0H592PICHY-W010156(2S)-2-azaniumyl-3-[(2-methylpropan-2-yl)oxy]propanoateM03139

데이터베이스 식별자

CAS: 18822-58-7
PubChem CID: 7004940
DTXSID: DTXSID40426482
UNII: BX0H592PIC
EC Number: 606-131-5
Nikkaji: J821.869B

물성

구조 계산 물성

XLogP: -2.5
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 220 °C · ~220 °C (dec.)
끓는 점: 266 · 266.0±30.0 °C(Predicted)
밀도: 1.08 · 1.080±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 2.11 · 2.11±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다.

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

wgk: 3
HS 번호: 29225090
safety_code: 22-24/25

화학 및 산업

응용 분야 · 1건

용도O-tert-Butyl-L-serine tert-butyl ester hydrochloride is a protected L-serine used in peptide synthesis, e.g. synthesis of glycopeptides and lipopeptides and preparation of amino-phospholipids. O-tert-Butyl-L-serine (Ser(TBU-OH), a serine hydroxyl protected amino acid, is used in SPPS such as the synthesis of tailed cyclic RGD peptides to prevent glutarimide formation.