tert-부틸4-(클로로메틸)-4-(히드록시메틸)피페리딘-1-카르복실레이트

Tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

HCID 67411808

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1312131-45-5
표준 SMILES: CC(C)(C)OC(=O)N1CCC(CO)(CCl)CC1
InChIKey: CSLWIKIJFFEYPB-UHFFFAOYSA-N
분자식: C12H22ClNO3
평균 분자량: 263.76 g/mol
단동위원소 질량: 263.1288213

이름 및 식별자

우선 이름: Tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
현지명: tert-부틸4-(클로로메틸)-4-(히드록시메틸)피페리딘-1-카르복실레이트
영어명: tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
분자식: C12H22ClNO3
분자량: 263.76

이름 및 동의어

1312131-45-5tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylateRefChem:893839985-474-54-Chloromethyl-4-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl esterMFCD23726559SCHEMBL2446921CSLWIKIJFFEYPB-UHFFFAOYSA-NAKOS027251281AS-73384DA-46187CS-0047252

이름 더 보기

tert-부틸4-(클로로메틸)-4-(히드록시메틸)피페리딘-1-카르복실레이트4-Chloromethyl-4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester(WX630196)1-Piperidinecarboxylic acid, 4-(chloromethyl)-4-(hydroxymethyl)-, 1,1-dimethylethyl ester

1-Boc-4-chloromethyl-4-hydroxymethyl-piperidineEN300-7399838F469593tert-butyl4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

데이터베이스 식별자

CAS: 1312131-45-5
PubChem CID: 67411808
EC Number: 985-474-5

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 267

물리화학적 성질

끓는 점: 358.6 · 358.6±7.0 °C(Predicted)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)

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.