시클로프로필(페닐)메탄아민

Cyclopropyl(phenyl)methanamine

HCID 3281515

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23459-38-3
표준 SMILES: NC(c1ccccc1)C1CC1
InChIKey: UCRSQPUGEDLYSH-UHFFFAOYSA-N
분자식: C10H13N
평균 분자량: 147.22 g/mol
단동위원소 질량: 147.10479942

이름 및 식별자

우선 이름: Cyclopropyl(phenyl)methanamine
IUPAC: cyclopropyl(phenyl)methanamine
현지명: 시클로프로필(페닐)메탄아민
영어명: cyclopropyl(phenyl)methanamine
분자식: C10H13N
분자량: 147.22

이름 및 동의어

cyclopropyl(phenyl)methanamine23459-38-3DTXSID60391007RefChem:336336DTXCID40341868809-062-01-cyclopropyl-1-phenylmethanamineMFCD05191945C10H13Nalpha-cyclopropylbenzylaminea-Cyclopropyl-benzenemethanaminerac-alpha-cyclopropylbenzylamine

이름 더 보기

시클로프로필(페닐)메탄아민α-Cyclopropylbenzenemethanamine1-cyclopropyl-1-phenylmethylamineBenzenemethanamine, α-cyclopropyl-1-Phenyl-1-cyclopropaneMethylaMinealpha-Cyclopropylbenzenemethanamine1-Aminomethyl-1-phenyl-cyclo-propan-eC-Cyclopropyl-C-phenyl-MethylaMinehydrochloride

SCHEMBL1423740Benzenemethanamine, alpha-cyclopropyl-155047-88-4(R)-C-Cyclopropyl-C-phenyl-methylamine(S)-C-Cyclopropyl-C-phenyl-methylamine(s)-1-cyclopropyl-1-phenylmethanamineC-CYCLOPROPYL-C-PHENYL-METHYLAMINEUCRSQPUGEDLYSH-UHF

데이터베이스 식별자

CAS: 23459-38-3
PubChem CID: 3281515
DTXSID: DTXSID60391007
EC Number: 809-062-0

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 123

물리화학적 성질

끓는 점: 103 · 103-115 °C
밀도: 1.082 · 1.082±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.29 · 9.29±0.10(Predicted)
물리적 상태: 액체
색상: 연한 갈색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (98.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (98.5%)

안전 데이터

HS 번호: 2921490090
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도1-Cyclopropyl-1-phenylmethanamine is a derivative of Benzylamine (B224860), which is a compound that has been used as a reactant in the preparation of diacetylated benzylamide and has been shown to induce a G1/G0 arrest in tumor cells and cytotoxicity against human ovarian cancer cells.