N-Boc-4-Hydroxyphenyl-DL-glycine

HCID 4189925CAS 53249-34-6

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(O)cc1
InChIKey: LRWJRIFKJPPAPM-UHFFFAOYSA-N
분자식: C13H17NO5
평균 분자량: 267.28 g/mol
단동위원소 질량: 267.11067264

이름 및 식별자

우선 이름: N-Boc-4-Hydroxyphenyl-DL-glycine
IUPAC: 2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
영어명: N-Boc-4-Hydroxyphenyl-DL-glycine
분자식: C13H17NO5
분자량: 267.28

이름 및 동의어

53249-34-6N-Boc-4-Hydroxyphenyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetic acidtert-butoxycarbonylamino-(4-hydroxy-phenyl)-acetic acid2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04038494Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-[(TERT-BUTOXYCARBONYL)AMINO](4-HYDROXYPHENYL)ACETIC ACID2-{[(tert-butoxy)carbonyl]amino}-2-(4-hydroxyphenyl)acetic acidBoc-2-amino-2-(4-hydroxyphenyl)acetic acidBoc-D-Phg(4-OH)-OHEN300-1071280

이름 더 보기

Boc-DL-Phg(4-OH)Boc-D,L-Phg(4-OH)-OHBOC-D-4-HydroxyphenylglycineBoc-d-p-hydroxyphenylglycineBoc-4-Hydroxyphenyl-DL-GlycineN-Boc-RS-4-HydroxyphenylglycineN-Boc-4-Hydroxyphenyl-DL-glycine USP/EP/BP

tert-butoxycarbonylamino(4-hydroxyphenyl)acetic acid2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acidBoc-DL-4-OH-Phg-OH2-(boc-amino)-2-(4'-hydroxyphenyl)acetic acidSCHEMBL191987tert-butoxycarbonylamino-(4-hydroxyphenyl)acetic acidDTXSID60400562LRWJRIFKJPPAPM-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 53249-34-6
PubChem CID: 4189925
DTXSID: DTXSID60400562
EC Number: 675-741-1

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 328

물리화학적 성질

끓는 점: 463.1 · 463.1±40.0 °C(Predicted)
밀도: 1.267 · 1.267±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.71 · 3.71±0.10(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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.