3-(피롤리딘-1-일메틸)아닐린

3-(Pyrrolidin-1-ylmethyl)aniline

HCID 1096407

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 183365-31-3
표준 SMILES: Nc1cccc(CN2CCCC2)c1
InChIKey: RZDBCURLSQNEAD-UHFFFAOYSA-N
분자식: C11H16N2
평균 분자량: 176.26 g/mol
단동위원소 질량: 176.13134852

이름 및 식별자

우선 이름: 3-(Pyrrolidin-1-ylmethyl)aniline
IUPAC: 3-(pyrrolidin-1-ylmethyl)aniline
현지명: 3-(피롤리딘-1-일메틸)아닐린
영어명: 3-(PYRROLIDIN-1-YLMETHYL)ANILINE
분자식: C11H16N2
분자량: 176.26

이름 및 동의어

3-(pyrrolidin-1-ylmethyl)aniline183365-31-3DTXSID70360269RefChem:275969DTXCID003113203-[(pyrrolidin-1-yl)methyl]anilineBENZENAMINE, 3-(1-PYRROLIDINYLMETHYL)-3-Pyrrolidin-1-ylmethyl-anilineMFCD041145043-(pyrrolidinylmethyl)phenylamine3-pyrrolidinylmethylanilineMLS000718389

이름 더 보기

3-(피롤리딘-1-일메틸)아닐린AKOS MSC-0191TIMTEC-BB SBB010600CHEMBRDG-BB 40112303-PYRROLIDIN-1-YLMETHYL-PHENYLAMINE1-[5-(2-furanyl)-2-pyridinyl]ethanamine3-(pyrrolidin-1-ylmethyl)aniline 1.95HCl 0.4H2O3-(pyrrolidin-1-ylmethyl)aniline(SALTDATA: 1.95HCl 0.4H2O)

SCHEMBL8334093-pyrrolidin-1-ylmethylanilineorb30315143-(1-pyrrolidinylmethyl)anilineCHEMBL1536368SCHEMBL30469295RZDBCURLSQNEAD-UHFFFAOYSA-NHMS1695F14

데이터베이스 식별자

CAS: 183365-31-3
PubChem CID: 1096407
DTXSID: DTXSID70360269
ChEMBL: CHEMBL1536368
EC Number: 676-334-1

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 152

실험 및 물리화학적 성질

Solubility>26.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 72 °C · 72 °C
끓는 점: 294.5 · 294.5±15.0 °C(Predicted)
밀도: 1.099 · 1.099±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.82 · 9.82±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.