1-(3-아미노프로필)피롤리딘

1-Pyrrolidinepropanamine

HCID 31670CAS 23159-07-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCCN1CCCC1
InChIKey: VPBWZBGZWHDNKL-UHFFFAOYSA-N
분자식: C7H16N2
평균 분자량: 128.22 g/mol
단동위원소 질량: 128.13134851

이름 및 식별자

우선 이름: 1-Pyrrolidinepropanamine
IUPAC: 3-pyrrolidin-1-ylpropan-1-amine
현지명: 1-(3-아미노프로필)피롤리딘
영어명: 1-(3-Aminopropyl)pyrrolidine
분자식: C7H16N2
분자량: 128.22

이름 및 동의어

23159-07-11-PYRROLIDINEPROPANAMINEN-(3-Aminopropyl)pyrrolidine3-Pyrrolidinopropylamine3-(1-Pyrrolidinyl)propylaminePyrrolidine-1-propylaminePyrrolidine, 1-(3-aminopropyl)-NSC 345670EINECS 245-465-2DTXSID1066861RefChem:436537DTXCID2036823

이름 더 보기

1-(3-아미노프로필)피롤리딘AKOS MSC-0389TIMTEC-BB SBB005799RARECHEM AL BW 03763-Pyrrolizino-1-propanamine

245-465-21-(3-Aminopropyl)pyrrolidine3-(pyrrolidin-1-yl)propan-1-amine1-(3-Aminopropyl)-pyrrolidine3-pyrrolidin-1-ylpropan-1-amineMFCD000141003-(1-pyrrolidino)propylamineaminopropylpyrrolidine

데이터베이스 식별자

CAS: 23159-07-1
PubChem CID: 31670
DTXSID: DTXSID1066861
UNII: JVG588X45L
EC Number: 245-465-2
Nikkaji: J267.217K

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 67.3

물리화학적 성질

녹는점: 215 · 215-217 °C
끓는 점: 191 · 191-193 °C
밀도: 1.014 · 1.014
굴절률: 1.47 · 1.47-1.472
인화점: 191 · 191-193°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 10.32 · 10.32±0.20(Predicted)
물리적 상태: 액체
색상: 약간 노란색으로 맑음
수용성: 물에 용해되고 클로로포름에 용해됨
BRN: 1191 · 1191
InChI: 1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2
InChIKey: VPBWZBGZWHDNKL-UHFFFAOYSA-N
SMILES: NCCCN1CCCC1
EPA: 1 · 1-Pyrrolidinepropanamine (23159-07-1)

화학적 성질

Clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: WGK 3
tsca: TSCA listed
ridadr: 2735
HS 번호: 29339900
risk_code: 34-41-37/38-22
hazard_code: C,Xn
safety_code: 45-36/37/39-26-39
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Pyrrolidinepropanamine: ACTIVE

응용 분야 · 1건

용도1-(3-Aminopropyl)pyrrolidine is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It can be used to make other chemicals It can react with 7-chloro-6-(2-chloro-ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine to get 5-methyl-8-(3-pyrrolidin-1-yl-propyl)-7,8-dihydro-6H-1,3,4,8,8b-pentaaza-as-indacene . It can also react with 2,4-diphenyl-cyclobutane-1,3-dicarbonyl dichloride to obtain 2,4-diphenyl-cyclobutane-1,3-dicarboxylic acid bis-[(3-pyrrolidin-1-yl-propyl)-amide] .