CAS 52716-49-1 Tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-YL]carbamate (HCID 11034179)

기본 정보

CAS: 52716-49-1
표준 SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)CBr
InChIKey: SUVXZTLARLVLOJ-VIFPVBQESA-N
분자식: C12H22BrNO3
평균 분자량: 308.21 g/mol
단동위원소 질량: 307.07831

이름 및 식별자

우선 이름: Tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-YL]carbamate
IUPAC: tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-yl]carbamate

이름 및 동의어

52716-49-1TERT-BUTYL N-[(3S)-1-BROMO-5-METHYL-2-OXOHEXAN-3-YL]CARBAMATECHEMBL475067SCHEMBL1041131SUVXZTLARLVLOJ-VIFPVBQESA-NEN300-7060568(3S)-1-bromo-3-(t-butoxycarbonylamino)-5-methyl-2-hexanone(S)-[1-(2-bromo-acetyl)-3-methyl-butyl]-carbamic acid tert-butyl ester

데이터베이스 식별자

CAS: 52716-49-1
PubChem CID: 11034179
ChEMBL: CHEMBL475067
EC Number: 156-206-7

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 271

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

화합물 노트

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