N-(3-아미노프로필)-이미다졸
1H-Imidazole-1-propanamine
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기본 정보
- CAS
5036-48-6- 표준 SMILES
NCCCn1ccnc1- InChIKey
KDHWOCLBMVSZPG-UHFFFAOYSA-N- 분자식
- C6H11N3
- 평균 분자량
- 125.17 g/mol
- 단동위원소 질량
- 125.09529735
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 물성보충 중
- XLogP
- -0.6
- 극성 표면적
- 43.8 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
All Other Basic Organic Chemical Manufacturing
1H-Imidazole-1-propanamine: ACTIVE
응용 분야
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.
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