CAS 304873-62-9 2-(Boc-amino)-4-(hydroxymethyl)pyridine (HCID 23151001)

기본 정보

CAS: 304873-62-9
표준 SMILES: CC(C)(C)OC(=O)Nc1cc(CO)ccn1
InChIKey: WWIMVFCGNYLUMJ-UHFFFAOYSA-N
분자식: C11H16N2O3
평균 분자량: 224.26 g/mol
단동위원소 질량: 224.11609237

이름 및 식별자

우선 이름: 2-(Boc-amino)-4-(hydroxymethyl)pyridine
IUPAC: tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
현지명: 2-Boc-아미노-4-하이드록시메틸피리딘
영어명: 2-Boc-amino-4-hydroxymethylpyridine
분자식: C11H16N2O3
분자량: 224.26

이름 및 동의어

2-(Boc-amino)-4-(hydroxymethyl)pyridineRefChem:459884890-467-4304873-62-9tert-butyl (4-(hydroxymethyl)pyridin-2-yl)carbamatetert-butyl N-[4-(hydroxymethyl)pyridin-2-yl]carbamateMFCD087046062-Boc-amino-4-hydroxymethylpyridineCarbamic acid, N-[4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl estertert-butyl [4-(hydroxymethyl)pyridin-2-yl]carbamateTERT-BUTYL 4-(HYDROXYMETHYL)PYRIDIN-2-YLCARBAMATECarbamic acid, [4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester

이름 더 보기

2-Boc-아미노-4-하이드록시메틸피리딘(4-Hydroxymethyl-pyridin-2-yl)-carbamic acid tert-butyl ester[4-(Hydroxymethyl)-2-pyridinyl]carbamic acid 1,1-dimethylethyl ester

SCHEMBL1940483SCHEMBL29575346DTXSID00631035WWIMVFCGNYLUMJ-UHFFFAOYSA-N2-(Boc-amino)-4-pyridinemethanolAKOS015892049SB36487AS-31822

데이터베이스 식별자

CAS: 304873-62-9
PubChem CID: 23151001
DTXSID: DTXSID00631035
EC Number: 890-467-4

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 71.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 137 · 137-138 °C
끓는 점: 333.4 · 333.4±32.0 °C(Predicted)
밀도: 1.209 · 1.209±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.4 · 12.40±0.70(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.