(5-브로모메틸-피라진-2-일)-카르밤산tert-부틸에스테르

tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamate

HCID 45073740

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 369638-69-7
표준 SMILES: CC(C)(C)OC(=O)Nc1cnc(CBr)cn1
InChIKey: FPWNVMNGKNLYSC-UHFFFAOYSA-N
분자식: C10H14BrN3O2
평균 분자량: 288.14 g/mol
단동위원소 질량: 287.02693879

이름 및 식별자

우선 이름: tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamate
IUPAC: tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate
현지명: (5-브로모메틸-피라진-2-일)-카르밤산tert-부틸에스테르
영어명: (5-Bromomethyl-pyrazin-2-yl)-carbamic acid tert-butyl ester
분자식: C10H14BrN3O2
분자량: 288.14

이름 및 동의어

369638-69-7tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamatetert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamatetert-butyl 5-(bromomethyl)pyrazin-2-ylcarbamateMFCD10574803(5-BROMOMETHYL-PYRAZIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTERCarbamic acid, N-[5-(bromomethyl)-2-pyrazinyl]-, 1,1-dimethylethyl ester2-(Boc-amino)-5-(bromomethyl)pyrazinetert-butyl(5-(bromomethyl)pyrazin-2-yl)carbamatetert-Butyl [5-(bromomethyl)pyrazin-2-yl]carbamate(5-BROMOMETHYLPYRAZIN-2-YL)CARBAMIC ACID TERT-BUTYL ESTERSCHEMBL611654

이름 더 보기

(5-브로모메틸-피라진-2-일)-카르밤산tert-부틸에스테르5-（bormomethyl）pyrazin-2-ylcarbamate

SCHEMBL29934934DTXSID90662833FPWNVMNGKNLYSC-UHFFFAOYSA-N5-bormomethylpyrazin-2-ylcarbamateAKOS015841465AB56408AS-47095SY240756

데이터베이스 식별자

CAS: 369638-69-7
PubChem CID: 45073740
DTXSID: DTXSID90662833
EC Number: 154-478-1

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 243

물리화학적 성질

끓는 점: 324.4 · 324.4±42.0 °C(Predicted)
밀도: 1.482 · 1.482±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 11.26 · 11.26±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.