3-아미노프로필-N-시클로헥실아민

N-Cyclohexyl-1,3-propanediamine

HCID 18718CAS 3312-60-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCCNC1CCCCC1
InChIKey: ITZPOSYADVYECJ-UHFFFAOYSA-N
분자식: C9H20N2
평균 분자량: 156.27 g/mol
단동위원소 질량: 156.16264864

이름 및 식별자

우선 이름: N-Cyclohexyl-1,3-propanediamine
IUPAC: N'-cyclohexylpropane-1,3-diamine
현지명: 3-아미노프로필-N-시클로헥실아민
영어명: N-(3-AMINOPROPYL)CYCLOHEXYLAMINE
분자식: C9H20N2
분자량: 156.27

이름 및 동의어

N-(3-Aminopropyl)cyclohexylamine3312-60-5N-CYCLOHEXYL-1,3-PROPANEDIAMINE1,3-Propanediamine, N-cyclohexyl-N-Cyclohexyl-1,3-propylenediamine3-(Cyclohexylamino)-1-propylamine1-(Cyclohexylamino)-3-aminopropaneN-Cyclohexylpropylene 1,3-diamineF4XOB09FKNNSC-87572DTXSID6062969RefChem:161932

이름 더 보기

3-아미노프로필-N-시클로헥실아민N-사이클로헥실-1,3-프로필렌다이아민APCHARARECHEM AL BW 0425CYCLOHEXYLPROPYLENEDIAMINE3-CyclohexylaminopropylaminN-Cyclohexyl-1,3-propanediame3-AMINOCYCLOHEXYLAMINOPROPANEn-cyclohexyl-3-propanediamine3-(Aminopropyl)cyclohexylamine

3-APCHADTXCID9038636222-001-7N1-cyclohexylpropane-1,3-diamine3-CyclohexylaminopropylamineN'-cyclohexylpropane-1,3-diamineCyclohexyl-1,3-propanediamineMFCD00003838

데이터베이스 식별자

CAS: 3312-60-5
PubChem CID: 18718
DTXSID: DTXSID6062969
UNII: F4XOB09FKN
EC Number: 222-001-7
Nikkaji: J47.452E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 87.6

물리화학적 성질

녹는점: 17 · −17-−15 °C(lit.)
끓는 점: 120 · 120-123 °C20 mm Hg(lit.)
밀도: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
증기압: 4.7 Pa · 4.7Pa at 20℃
굴절률: 20 · n20/D 1.482(lit.)
인화점: 214 °F · 214 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 11 · 11.00±0.20(Predicted)
색상: Colorless to Light yellow to Light orange
수용성: 5000 g/L · 5000g/L at 20℃
BRN: 741954 · 741954
InChI: 1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
InChIKey: ITZPOSYADVYECJ-UHFFFAOYSA-N
SMILES: NCCCNC1CCCCC1
LogP: 0.73 at · 0.73 at 20℃
EPA: 1 · 1,3-Propanediamine, N-cyclohexyl- (3312-60-5)

화학적 성질

colorless tolight yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.5% (5 of 197) of reports.

Danger

H301+H311 (52.8%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 197 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediamine, N-cyclohexyl-

1,3-Propanediamine, N1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-cyclohexyl- 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)

Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29569

1,3-Propanediamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (54.3%)