1-(아미노메틸)사이클로프로판카복실산

1-(Aminomethyl)cyclopropanecarboxylic acid

HCID 15033901CAS 139126-45-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1(C(=O)O)CC1
InChIKey: MJQJJFZHAQFTDZ-UHFFFAOYSA-N
분자식: C5H9NO2
평균 분자량: 115.13 g/mol
단동위원소 질량: 115.06332853

이름 및 식별자

우선 이름: 1-(Aminomethyl)cyclopropanecarboxylic acid
IUPAC: 1-(aminomethyl)cyclopropane-1-carboxylic acid
현지명: 1-(아미노메틸)사이클로프로판카복실산
영어명: 1-(Aminomethyl)cyclopropanecarboxylic acid
분자식: C5H9NO2
분자량: 115.13

이름 및 동의어

139126-45-71-(AMINOMETHYL)CYCLOPROPANECARBOXYLIC ACID1-(AMINOMETHYL)CYCLOPROPANE-1-CARBOXYLIC ACIDCyclopropanecarboxylic acid, 1-(aminomethyl)-cyclopropanecarboxylic acid, 1-(aminomethyl)-, hydrochlorideCHEMBL370314SCHEMBL1527341SCHEMBL3636622MJQJJFZHAQFTDZ-UHFFFAOYSA-NDTXSID401381702ALBB-012827MFCD06212872

이름 더 보기

1-(아미노메틸)사이클로프로판카복실산KML-34CML-031RARECHEM AL BW 08101-Aminomethyl-cyclopropanecarb1-(aminomethyl)cyclopropanecarboxylic acid 1HCl1-Aminomethyl-cyclopropanecarboxylic acid x HCl, 98%1-(aminomethyl)cyclopropanecarboxylic acid hydrochloride

AKOS005173918MB037171-Aminomethyl-cyclopropanecarboxylic acidSY0725201-(amino-methyl)cyclopropanecarboxylic acid1-aminomethyl-1-cyclopropanecarboxylic acidDB-110975CS-0054282

데이터베이스 식별자

CAS: 139126-45-7
PubChem CID: 15033901
DTXSID: DTXSID401381702
ChEMBL: CHEMBL370314
EC Number: 802-814-9

물성

구조 계산 물성

XLogP: -3.2
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 118

물리화학적 성질

끓는 점: 247 · 247.0±13.0 °C(Predicted)
밀도: 1.298 · 1.298±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 3.37 · 3.37±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKey: MJQJJFZHAQFTDZ-UHFFFAOYSA-N
SMILES: NCC1(CC1)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 (100%)；Eye Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22-36
hazard_code: Xn
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사24 곳

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

北京穹峰科技有限公司13552142508 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]

上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]

연결된 노트

불러오는 중…