기본 정보
- 표준 SMILES
CC(C)(C)CC(C)(C)N- InChIKey
QIJIUJYANDSEKG-UHFFFAOYSA-N- 분자식
- C8H19N
- 평균 분자량
- 129.24 g/mol
- 단동위원소 질량
- 129.15174961
개요
2,4,4-trimethyl-2-Pentanamine is an alkylamine.
이름 및 식별자
- 우선 이름
- tert-Octylamine
- IUPAC
- 2,4,4-trimethylpentan-2-amine
- 현지명
- 삼차-옥틸아민
- 영어명
- tert-Octylamine
- 분자식
- C8H19N
- 분자량
- 129.24
이름 및 동의어
tert-Octylamine107-45-91,1,3,3-Tetramethylbutylamine2-PENTANAMINE, 2,4,4-TRIMETHYL-2,4,4-Trimethyl-2-pentylamine1,1,3,3-TetramethylbutanamineButylamine, 1,1,3,3-tetramethyl-2,4,4-Trimethyl-2-pentanamine2-Amino-2,4,4-trimethylpentaneButylamine, bis(1,3-dimethyl)-NSC 33852DTXSID0021886
이름 더 보기
삼차-옥틸아민TOAT-OCTYLAMINETert-OCLylaMinetert-Octylamine,95%tert-Octylamine 95%Potassium Impurity 3
EINECS 203-491-1BRN 1732753S84LIL883BTERT-OCTANAMINEPRIMENE TOAAI3-52247NSC-33852DTXCID501886
데이터베이스 식별자
- CAS
107-45-9- PubChem CID
- 61017
- DTXSID
DTXSID0021886- ChEMBL
CHEMBL2078935- ChEBI
CHEBI:229333- UNII
- S84LIL883B
- EC Number
- 203-491-1
- Nikkaji
- J42.743H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87.2
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -67 °C · -67 °C
- 끓는 점
- 137 · 137-143 °C(lit.)
- 밀도
- 0.805 g/mL · 0.805 g/mL at 25 °C(lit.)
- 증기 밀도
- 4.46 · 4.46 (vs air)
- 증기압
- 10 mm · 10 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.424(lit.)
- 인화점
- 90 °F · 90 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.74 · 10.74±0.25(Predicted)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 불용성
- BRN
- 1732753 · 1732753
- InChI
- 1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3
- InChIKey
- QIJIUJYANDSEKG-UHFFFAOYSA-N
- SMILES
- CC(C)(C)CC(C)(C)N
- LogP
- -0.78 · -0.78-2.13 at 25℃ and pH1-11
- NIST
- 2 · 2-Pentanamine, 2,4,4-trimethyl-(107-45-9)
- EPA
- 1 · 1,1,3,3-Tetramethylbutylamine (107-45-9)
화학적 성질
CLEAR LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (92.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P390, P391, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 174 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Pentanamine, 2,4,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentanamine, 2,4,4-trimethyl- 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: 11-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13594
Hazard Classes and CategoriesFlam. Liq. 3 (92.5%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EO3850000
- ridadr
- UN 2734 8/PG 2
- 독성
- rabbit,LD50,skin,> 3gm/kg (3000mg/kg),National Technical Information Service. Vol. OTS0529785-1,
- HS 번호
- 29211990
- risk_code
- 10-22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-16
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-34632
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1C
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Pentanamine, 2,4,4-trimethyl-: ACTIVE
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하류 제품
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