CAS 160801-72-9 (S)-2-(Boc-Amino)-N-methoxy-n-methylbutyramide (HCID 10422029)

기본 정보

CAS: 160801-72-9
표준 SMILES: CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)OC
InChIKey: UETSWVCUPQBUGT-QMMMGPOBSA-N
분자식: C11H22N2O4
평균 분자량: 246.3 g/mol

이름 및 식별자

우선 이름: (S)-2-(Boc-Amino)-N-methoxy-n-methylbutyramide
IUPAC: tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
영어명: (S)-2-(Boc-amino)-N-methoxy-N-methylbutyramide
분자식: C11H22N2O4
분자량: 246.30338

이름 및 동의어

(S)-2-(Boc-amino)-N-methoxy-N-methylbutyramide160801-72-9RefChem:407880898-962-7MFCD28398155TERT-BUTYL N-[(1S)-1-[METHOXY(METHYL)CARBAMOYL]PROPYL]CARBAMATESCHEMBL836447UETSWVCUPQBUGT-QMMMGPOBSA-N(S)-tert-butyl (1-(methoxy(methyl)amino)-1-oxobutan-2-yl)carbamateAC2587AKOS027256893CS-12009

이름 더 보기

Tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxobutan-2-yl)carbamateCarbamic acid, [(1S)-1-[(methoxymethylamino)carbonyl]propyl]-,1,1-dimethylethyl esterCarbamic acid, N-[(1S)-1-[(methoxymethylamino)carbonyl]propyl]-, 1,1-dimethylethyl ester

SY035492DB-2477532(S)-N-tert-Butoxycarbonylamino-N-methoxy-N-methyl-butanamidetert-butyl {(1S)-1-[methoxy(methyl)carbamoyl]propyl}carbamatetert-butyl{(1S)-1-[methoxy(methyl)carbamoyl]propyl}carbamate(S)-tert-butyl 1-(methoxy(methyl)amino)-1-oxobutan-2-ylcarbamatetert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate1,1-dimethylethyl ((1S)-1-{[methyl(methyloxy)amino]carbonyl}-propyl)carbamate

데이터베이스 식별자

CAS: 160801-72-9
PubChem CID: 10422029
EC Number: 898-962-7

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 273

물리화학적 성질

밀도: 1.054 · 1.054±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.19 · 11.19±0.46(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.