디엘-2-아미노-1-부탄올
2-Amino-1-butanol
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기본 정보
- CAS
13054-87-0- 표준 SMILES
CCC(N)CO- InChIKey
JCBPETKZIGVZRE-UHFFFAOYSA-N- 분자식
- C4H11NO
- 평균 분자량
- 89.14 g/mol
- 단동위원소 질량
- 89.08406397
개요
structure
이름 및 식별자
- 우선 이름
- 2-Amino-1-butanol
- IUPAC
- 2-aminobutan-1-ol
- 현지명
- 디엘-2-아미노-1-부탄올
- 영어명
- DL-2-Amino-1-butanol
- 분자식
- C4H11NO
- 분자량
- 89.14
이름 및 동의어
2-Aminobutan-1-ol2-Amino-1-butanol96-20-82-Aminobutanol1-BUTANOL, 2-AMINO-2-Aminobutyl alcoholButanol-2-amine1-(Hydroxymethyl)propylamine2-Amino-1-hydroxybutaneN008Q02GPSNSC-1068DTXSID60859935
이름 더 보기
디엘-2-아미노-1-부탄올2-아미노-1-뷰탄올DL-2-아미노-1-부탄올2-azanylbutan-1-ol1-hydroxy-2-butanamineLABOTEST-BB LT01409643(+/-)-2-AMINO-1-BUTANOL1-Hydroxy-2-aminobutane1-hydroxy-sec-butylamine(±)-2-Amino-1-butanol,97%rac-(S*)-2-Amino-1-butanol
RefChem:85045DTXCID50209465202-488-2235-940-2DL-2-Amino-1-butanol13054-87-01-Hydroxy-2-butylamineaminobutanol
데이터베이스 식별자
- CAS
13054-87-0、96-20-8- PubChem CID
- 22129
- DTXSID
DTXSID60859935- ChEMBL
CHEMBL327032- UNII
- N008Q02GPS
- EC Number
- 202-488-2、235-940-2
- Nikkaji
- J35.181D
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 30.7
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
CosmeticsBuffering
SpringerMaterials PropertiesOptical coefficient
Vapor Pressure0.15 [mmHg]
Physical Description
Liquid
Liquid; [Merck Index] Colorless hygroscopic liquid with an amine-like odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -2 °C · -2 °C(lit.)
- 끓는 점
- 179 · 179-183 °C(lit.)
- 밀도
- 0.944 g/mL · 0.944 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.452
- 인화점
- 184 °F · 184 °F
- InChI
- InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
- InChIKey
- JCBPETKZIGVZRE-UHFFFAOYSA-N
- SMILES
- C(N)(CO)CC
- NIST
- 1 · 1-Butanol, 2-amino-, (.+/-.)-(13054-87-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (5 of 277) of reports.
Danger
H302 (98.2%): 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, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 277 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1-Butanol, 2-amino-
1-Butanol, 2-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2-amino- 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: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12299
2-Amino-1-butanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1-Butanol, 2-amino-: Human health tier II assessment
Hazards SummaryCauses burns; Harmful by ingestion; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Skin Corr. 1C (100%)
Acute Tox. 4 (98.2%)
Acute toxicity - category 4
안전 및 보호
화학 및 산업
용도 및 제조
Uses
Used to make surface-active agents, vulcanization accelerators, and pharmaceuticals, and as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, leather dressings, textile specialties, polishes, cleaning compounds, and so-called soluble oils; [Merck Index] Used in metal working fluids, rolling oils, and cleaning agents; [ECHA REACH Registrations]
Metal Machining [Category: Heat or Machine]
U.S. Production2023: 389,812 lb
Consumer UsesStabilizing agent
Industry UsesStabilizing agent
Use ClassificationCosmetics -> Buffering
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanol, 2-amino-: ACTIVE
상·하류 제품 정보
하류 제품
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