N-(3-아미노프로필)-이미다졸

N-(3-아미노프로필)-이미다졸 · 1-(3-AMINOPROPYL)IMIDAZOLE · N-(3-AMINOPROPYL)IMIDAZOLE · 1H-Imidazole-1-propanamine · N3API · Lupragen API · LUPRAGEN(R) API · 1-(3-AminopropyL

https://huagongshe.com/ko/chemical/78736

식별자 및 물리적 특성

CAS No.	5036-48-6
분자식	C6H11N3
평균 분자량	125.17 g/mol
단동위원소 질량	125.09529735 g/mol
SMILES	NCCCn1ccnc1
InChIKey	KDHWOCLBMVSZPG-UHFFFAOYSA-N
PubChem CID	78736
ChEMBL	CHEMBL3984871
ChEBI	CHEBI:194835
EC No.	225-730-9
DTXSID	DTXSID7063685
현지명	N-(3-아미노프로필)-이미다졸

화학 및 물리적 성질

XLogP	-0.6
극성 표면적	43.8
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
Physical Description	Liquid
녹는점	-68 °C
끓는 점	296 °C
밀도	1.049 g/mL at 25 °C (lit.)
증기압	0.12Pa at 20℃
굴절률	n20/D 1.519(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	액체
pKa(산도 계수)	9.08±0.10(Predicted)
색상	무색의
pH	11.3 (10g/l, H2O, 20℃)
폭발한계	1.0-6.4%(V)
용해도	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(분배 계수)	-0.57 at 23℃
NIST	1-(3-Aminopropyl)imidazole(5036-48-6)
EPA	1H-Imidazole-1-propanamine (5036-48-6)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류	DangerH302 (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.
규제 정보	Chemical: 1H-Imidazole-1-propanamine1H-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/115091H-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 Categories	Acute Tox. 4 (82.1%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3267 8/PG 2
관세 코드	29332990
위험 문구(R)	34-22
위험 표시	C
안전 문구(S)	26-27-36/37/39-45
포장분류	III
위험 등급	8Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
기존화학 물질	2002-3-2007
저장 분류	8A - Combustible corrosive hazardous materials

용도

1-(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.