tert-butyl N-(3-aminopropyl)-N-methylcarbamate

HCID 2756543
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
150349-36-3
표준 SMILES
CN(CCCN)C(=O)OC(C)(C)C
InChIKey
PNQYAMWGTGWJDW-UHFFFAOYSA-N
분자식
C9H20N2O2
평균 분자량
188.27 g/mol
단동위원소 질량
188.15247788

개요

N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester is an organic molecular entity.

이름 및 식별자

우선 이름
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
IUPAC
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
영어명
tert-Butyl N-(3-aminopropyl)-N-methylcarbamate
분자식
C9H20N2O2
분자량
188.27

이름 및 동의어

tert-butyl N-(3-aminopropyl)-N-methylcarbamateRefChem:895915672-444-9150349-36-3N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester3-(N-Boc-N-methylamino)propylaminetert-Butyl (3-aminopropyl)(methyl)carbamatetert-butyl 3-aminopropyl(methyl)carbamateMFCD01631189carbamic acid, n-(3-aminopropyl)-n-methyl-, 1,1-dimethylethyl esterboc-n-me-1,3-diaminopropaneN-(3-Amino-propyl)-n-methylcarbamic acid t-butyl ester
이름 더 보기
N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester citrateBUTTPARK 90\06-20Boc-N-Me-1,3-diaminopropane·HClN-Boc-N-Methyl-1,3-diaMinopropaneN1-BOC-N1-METHYL-1,3-PROPANEDIAMINE1-N-BOC-1-N-METHYL-1,3-DIAMINOPROPANEN-Boc-N-methyl-1,3-diaminopropane,95%1-N-BOC-1-N-Methyl-1,3-DIAMINOPROPANE-HCl
3-(n-tert-butoxycarbonyl-n-methylamino)propylaminetert-Butyl 3-Aminopropyl(methyl) Carbamate(3-amino-propyl)-methyl-carbamic acid tert-butyl estertert-Butyl (3-aminopropyl)(methyl)carbamate;3-(N-tert-Butoxycarbonyl-N-methylamino)propylamine;2-Methylpropan-2-yl N-(3-aminopropyl)-N-methylcarbamate;N-(3-Aminopropyl)-N-(methyl)carbamic Acid tert-butyl Ester;N-(3-Aminopropyl)-N-methylcarbamic Acid 1,1-dimethylethyl Ester;

데이터베이스 식별자

CAS
150349-36-3
PubChem CID
2756543
DTXSID
DTXSID70373415
ChEBI
CHEBI:230359
EC Number
672-444-9

물성

구조 계산 물성

XLogP
0.5
극성 표면적
55.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
13

물리화학적 성질

끓는 점
254.6 · 254.6±19.0 °C(Predicted)
밀도
0.982 · 0.982±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
10.06 · 10.06±0.10(Predicted)
물리적 상태
액체

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (14.3%)

안전 데이터

HS 번호
2924190090
risk_code
36/37/38-22
hazard_code
Xn
safety_code
26-36/37/39

화학 및 산업

응용 분야

용도It is an important raw material and intermediate used in organic synthesis, agrochemicals and dyestuff.

상·하류 제품 정보

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

관련 반응

17건
반응 기록 만들기

화합물 노트

불러오는 중…