부톡시-3-프로필아민

1-Propanamine, 3-butoxy-

HCID 85461

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16499-88-0
표준 SMILES: CCCCOCCCN
InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N
분자식: C7H17NO
평균 분자량: 131.22 g/mol
단동위원소 질량: 131.13101416

이름 및 식별자

우선 이름: 1-Propanamine, 3-butoxy-
IUPAC: 3-butoxypropan-1-amine
현지명: 부톡시-3-프로필아민
영어명: 3-Butoxypropanamine
분자식: C7H17NO
분자량: 131.22

이름 및 동의어

3-Butoxypropylamine16499-88-03-Butoxypropanamine1-Propanamine, 3-butoxy-3-Butoxy-1-propylamineEINECS 240-566-8DTXSID6066070RefChem:435905DTXCID7035301240-566-83-butoxypropan-1-aminebutoxypropylamine

이름 더 보기

부톡시-3-프로필아민3-부톡시프로필아민3-뷰톡시프로필아민3BOPABP-NH2FENTAMINE OPA-4RARECHEM AL BW 04993-butoxy-1-propanamin3-N-BUTOXYPROPYLAMINE3-Butoxy-1-propanamine

MFCD000256223-n-Butoxy-1-propylamine3-Aminopropyl Butyl Ether3-butoxy propylamine3-butyloxypropyl amine3-(n-butoxy)propylamine3-Butoxy-1-propanamine #3-Butoxypropylamine, 99%

데이터베이스 식별자

CAS: 16499-88-0
PubChem CID: 85461
DTXSID: DTXSID6066070
EC Number: 240-566-8
Nikkaji: J116.186E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 9
형식 전하: 0
복잡도: 48.2

물리화학적 성질

녹는점: -65 °C · -65 °C
끓는 점: 169 · 169-170 °C/756 mmHg (lit.)
밀도: 0.853 g/mL · 0.853 g/mL at 25 °C (lit.)
증기압: 1.29 hPa · 1.29hPa at 20℃
굴절률: 20 · n20/D 1.426(lit.)
인화점: 146 °F · 146 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.77 · 9.77±0.10(Predicted)
색상: 무색~연황색
수용성: 혼용 가능
InChI: 1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3
InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N
SMILES: CCCCOCCCN
LogP: 1.05 at · 1.05 at 20℃
NIST: 3 · 3-Butoxypropylamine(16499-88-0)
EPA: 1 · 1-Propanamine, 3-butoxy- (16499-88-0)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.

Danger

H301 (21.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, 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 109 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

1-Propanamine, 3-butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-butoxy- 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: 12-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26854

Hazard Classes and CategoriesAcute Tox. 3 (21.1%)