3-N-Boc-아미노-아제티딘

3-Aminoazetidine, 3-BOC protected

HCID 1519405CAS 91188-13-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1CNC1
InChIKey: NEMXVXVJGXZDRR-UHFFFAOYSA-N
분자식: C8H16N2O2
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.12117776

이름 및 식별자

우선 이름: 3-Aminoazetidine, 3-BOC protected
IUPAC: tert-butyl N-(azetidin-3-yl)carbamate
현지명: 3-N-Boc-아미노-아제티딘
영어명: 3-N-Boc-amino-azetidine
분자식: C8H16N2O2
분자량: 172.22

이름 및 동의어

3-aminoazetidine, 3-boc protectedRefChem:497695676-108-291188-13-5tert-Butyl azetidin-3-ylcarbamate3-N-Boc-amino-azetidine3-(boc-amino)azetidineTert-butyl N-(azetidin-3-yl)carbamate3-Boc-aminoazetidine3-N-Boc-aminoazetidine3-(n-boc-amino)azetidineMFCD01861759

이름 더 보기

3-N-Boc-아미노-아제티딘Azetidin-3-yl-carbamic acid tert-butyl ester HCl3-Boc-Aaminoazetidine3-BOC-AMINOAZETIDINE 98%3-Boc-aminoazetidine HCl3-N-Boc-Amino-azetidine ,98%tert-butylazetidin-1-ylcarbamate

Azetidin-3-yl-carbamic acid tert-butyl estertert-butyl N-azetidin-3-ylcarbamate3-(tert-butoxycarbonylamino)azetidineCarbamic acid, 3-azetidinyl-, 1,1-dimethylethyl esterEN300-1183913-(BOC-AMINO)-AZETIDINE3-[(tert-Butoxycarbonyl)amino]azetidineSCHEMBL114920

데이터베이스 식별자

CAS: 91188-13-5
PubChem CID: 1519405
DTXSID: DTXSID50364023
EC Number: 676-108-2
Nikkaji: J3.174.967K

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 63 · 63-72°C
끓는 점: 268 ℃ · 268℃
밀도: 1.06 · 1.06
인화점: 116 ° · 116°(241°F)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 12.26 · 12.26±0.40(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다. (5g/100ml)
InChI: InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey: NEMXVXVJGXZDRR-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CNC1

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 2933998090
risk_code: 36/37/38-52
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도It is an intermediate in organic syntheses.

공급사50 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

불러오는 중…