2-아미노에틸-1-피롤리딘

1-Pyrrolidineethanamine

HCID 1344CAS 7154-73-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCN1CCCC1
InChIKey: WRXNJTBODVGDRY-UHFFFAOYSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569846

이름 및 식별자

우선 이름: 1-Pyrrolidineethanamine
IUPAC: 2-pyrrolidin-1-ylethanamine
현지명: 2-아미노에틸-1-피롤리딘
영어명: 1-(2-Aminoethyl)pyrrolidine
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

1-(2-Aminoethyl)pyrrolidine1-PyrrolidineethanamineN-(2-Aminoethyl)pyrrolidine2-pyrrolidin-1-ylethanamine2-(Pyrrolidin-1-Yl)Ethan-1-Amine2-(1-Pyrrolidinyl)ethanamine076KT5HU06EINECS 230-509-5NSC-73740UNII-076KT5HU06DTXSID10645802-(PYRROLIDINO)ETHANAMINE

이름 더 보기

2-아미노에틸-1-피롤리딘1-(2-아미노에틸)피롤리딘MFCD11053712RARECHEM AL BW 0375TIMTEC-BB SBB004304Pyrrolidinoethanamine2-Pyrrolidinoethylamine2-PyrrolizinoethanaminePyrrolidine-1-ethanamine

N-(2'-AMINOETHYL)PYRROLIDINEN-(2-(PYRROLIDIN-1-YL)ETHYL)AMINERefChem:77212DTXCID3047051InChI=1/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7HWRXNJTBODVGDRY-UHFFFAOYSA-N7154-73-6Pyrrolidinoethylamine

데이터베이스 식별자

CAS: 7154-73-6
PubChem CID: 1344
DTXSID: DTXSID1064580
UNII: 076KT5HU06
EC Number: 230-509-5
Nikkaji: J149.725A

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 57

물리화학적 성질

녹는점: 219 °C · 219 °C (decomp)
끓는 점: 66 · 66-70 °C/23 mmHg (lit.)
밀도: 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.468(lit.)
인화점: 118 °F · 118 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1 · pK1: 6.56(+2);pK2: 9.74(+1)(30°C)
물리적 상태: 액체
Specific Gravity: 0.901 · 0.901
색상: 투명한 무색~연한 갈색
BRN: 102978 · 102978
InChI: 1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
InChIKey: WRXNJTBODVGDRY-UHFFFAOYSA-N
SMILES: NCCN1CCCC1
NIST: 1 · 1-Pyrrolidineethanamine(7154-73-6)
EPA: 1 · 1-Pyrrolidineethanamine (7154-73-6)

화학적 성질

CLEAR COLORLESS TO LIGHT BROWN LIQUID

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
HS 번호: 29339900
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
포장분류: III
위험 등급: 3
F 고인화성물질: 9-23
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1-(2-Aminoethyl)pyrrolidine may be used in the preparation of one-dimensional coordination polymer of nickel(II), [(μN,S-NCS)2{Ni(ampy)}]n (ampy=1-(2-aminoethyl)pyrrolidine).

일반 설명1-(2-Aminoethyl)pyrrolidine is a heterocyclic building block. Nickel(II) salts of 1-(2-aminoethyl)pyrrolidine have been synthesized and thermal studies have been reported. The isomeric complexes trans-[NiL2(NCS)2] (violet) and cis-[NiL2(NCS)2] (blue) [L=1-(2-aminoethyl)pyrrolidine] have been synthesized and their X-ray crystal structure have been studied.