N-(tert-부톡시카르보닐)-2-아미노아세토니트릴

tert-butyl N-(cyanomethyl)carbamate

HCID 545844CAS 85363-04-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCC#N
InChIKey: SMZKPZXYDDZDJG-UHFFFAOYSA-N
분자식: C7H12N2O2
평균 분자량: 156.18 g/mol
단동위원소 질량: 156.08987762

이름 및 식별자

우선 이름: tert-butyl N-(cyanomethyl)carbamate
IUPAC: tert-butyl N-(cyanomethyl)carbamate
현지명: N-(tert-부톡시카르보닐)-2-아미노아세토니트릴
영어명: N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
분자식: C7H12N2O2
분자량: 156.18

이름 및 동의어

tert-butyl N-(cyanomethyl)carbamateRefChem:896365628-799-785363-04-8N-(tert-Butoxycarbonyl)-2-aminoacetonitrile2-(Boc-amino)acetonitriletert-Butyl (cyanomethyl)carbamateN-Boc-aminoacetonitrileMFCD00239390Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl estertert-Butyl cyanomethylcarbamate(N-Boc-amino)acetonitrile

이름 더 보기

N-(tert-부톡시카르보닐)-2-아미노아세토니트릴AKOS 91568BOC-GLY-NITRILEBOC-2-AMINOACETONITRILEN-BOC-2-AminoacetonitrileN-(ert-Butoxycarbonyl)-2-AminoacetonitrileN-(cyanomethyl)carbamic acid tert-butyl ester

SCHEMBL362933AKOS000280578N-(cyano-methyl)-carbamic acid tert-butyl esterN-(tert-Butoxycarbonyl)-2-aminoacetonitrile, 97%AM20110225Carbamic acid, N-(cyanomethyl)-, 1,1-dimethylethyl esterDTXSID50337999tert-Butyl cyanomethylcarbamate #

데이터베이스 식별자

CAS: 85363-04-8
PubChem CID: 545844
DTXSID: DTXSID50337999
EC Number: 628-799-7
Nikkaji: J875.410A

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 62.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 53 · 53-57 °C(lit.)
끓는 점: 186 °C · 186 °C(lit.)
밀도: 1.1832 · 1.1832 (rough estimate)
굴절률: 1.488 · 1.4880 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 9.96 · 9.96±0.46(Predicted)
물리적 상태: 고체
색상: 갈색
InChI: InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
InChIKey: SMZKPZXYDDZDJG-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCC#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2926907090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-(tert-Butoxycarbonyl)-2-aminoacetonitrile may be used for the preparation of N-(tert-butoxycarbonyl)-2-aminoacetamidoxime, by reaction with hydroxylamine hydrochloride.

일반 설명N-(tert-Butoxycarbonyl)-2-aminoacetonitrile is an organic building block.

상·하류 제품 정보

상류 원료

하류 제품

아세트산,시아노[[(1,1-디메틸에톡시)카르보닐]아미노]-(9CI)

공급사50 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

연결된 노트

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