1-(3,4-DIHYDRO-2H-크로멘-2-일)메탄아민

1-(3,4-dihydro-2H-1-benzopyran-2-yl)methanamine

HCID 11263686

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3990-59-8
표준 SMILES: NCC1CCc2ccccc2O1
InChIKey: BSRHATGBRQMDRF-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

이름 및 식별자

우선 이름: 1-(3,4-dihydro-2H-1-benzopyran-2-yl)methanamine
IUPAC: 3,4-dihydro-2H-chromen-2-ylmethanamine
현지명: 1-(3,4-DIHYDRO-2H-크로멘-2-일)메탄아민
영어명: 1-(3,4-Dihydro-2H-chromen-2-yl)methanamine
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

1-(3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHANAMINERefChem:422828961-968-6Chroman-2-ylmethanamine3990-59-8(Chroman-2-yl)methanamine1-(3,4-DIHYDRO-2H-CHROMEN-2-YL)METHANAMINE2-(aminomethyl)chroman3,4-dihydro-2H-chromen-2-ylmethanamineMFCD10697678[(2R)-Chroman-2-yl]methanamine2-aminomethyl-chromane

이름 더 보기

1-(3,4-DIHYDRO-2H-크로멘-2-일)메탄아민1-(3,4-DIHYDRO-2H-CHROMEN-2-YL)METHANA

aminomethylchroman2H-1-Benzopyran-2-methanamine, 3,4-dihydro-2-(aminomethyl)chromane(-)-2-aminomethylchroman(3,4-dihydro-2H-1-benzopyran-2-yl)methanamineSCHEMBL430983SCHEMBL9689393,4-DIHYDRO-2H-1-BENZOPYRAN-2-YLMETHANAMINE

데이터베이스 식별자

CAS: 3990-59-8
PubChem CID: 11263686
DTXSID: DTXSID50460438
EC Number: 961-968-6

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 279 · 279.0±9.0 °C(Predicted)
밀도: 1.073 · 1.073±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 9.14 · 9.14±0.29(Predicted)
InChI: InChI=1S/C10H13NO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7,11H2
InChIKey: BSRHATGBRQMDRF-UHFFFAOYSA-N
SMILES: C1(CN)OC2=CC=CC=C2CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.