1H-Imidazole-1-propanamine (HCID 78736)

개요

3-(1H-imidazol-1-yl)propylamine is a member of imidazoles.

이름 및 식별자

우선 이름: 1H-Imidazole-1-propanamine
IUPAC: 3-imidazol-1-ylpropan-1-amine
현지명: N-(3-아미노프로필)-이미다졸
영어명: N-(3-Aminopropyl)-imidazole
분자식: C6H11N3
분자량: 125.17

이름 및 동의어

1-(3-Aminopropyl)imidazole5036-48-61H-Imidazole-1-propanamineQN37N4JU4VDTXSID70636851-[3-Aminopropyl]imidazoleRefChem:438371DTXCID6040822225-730-9N-(3-Aminopropyl)-imidazole3-(1H-Imidazol-1-Yl)Propan-1-AmineN-(3-Aminopropyl)imidazole

이름 더 보기

N-(3-아미노프로필)-이미다졸N3APILupragen APILUPRAGEN(R) API1-(3-AminopropyLN-(3-Aminopropyl)-imAminopropylimidazole3-Imidazo Propyl Amine

3-imidazol-1-ylpropan-1-amineMFCD000098191-(3-Aminopropyl)-1H-imidazole3-(1H-imidazol-1-yl)propylamine1-(3-aminopropyl) imidazole1-(3-Aminopropyl)-imidazole3-(imidazol-1-yl)propylamine3-IMIDAZOLYLPROPYLAMINE

데이터베이스 식별자

CAS: 5036-48-6
PubChem CID: 78736
DTXSID: DTXSID7063685
ChEMBL: CHEMBL3984871
ChEBI: CHEBI:194835
UNII: QN37N4JU4V
EC Number: 225-730-9
Nikkaji: J203.264C

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.7

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -68 °C · -68 °C
끓는 점: 296 °C · 296 °C
밀도: 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
증기압: 0.12 Pa · 0.12Pa at 20℃
굴절률: 20 · n20/D 1.519(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 9.08 · 9.08±0.10(Predicted)
색상: 무색의
수소이온지수(pH): 11.3 · 11.3 (10g/l, H2O, 20℃)
폭발한계: 1 · 1.0-6.4%(V)
수용성: 혼용 가능
InChI: 1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChIKey: KDHWOCLBMVSZPG-UHFFFAOYSA-N
SMILES: NCCCn1ccnc1
LogP: -0.57 at · -0.57 at 23℃
NIST: 1 · 1-(3-Aminopropyl)imidazole(5036-48-6)
EPA: 1 H-Imidazole-1-propanamine · 1H-Imidazole-1-propanamine (5036-48-6)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 223 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: 1H-Imidazole-1-propanamine

1H-Imidazole-1-propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-propanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11509

1H-Imidazole-1-propanamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (82.1%)

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
HS 번호: 29332990
risk_code: 34-22
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: 2002-3-2007
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1H-Imidazole-1-propanamine: ACTIVE

응용 분야 · 1건

용도1-(3-Aminopropyl)imidazole is used in the synthesis of pH-sensitive polyaspartamide derivatives. It is also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.