1-디메틸아미노-2-프로판올

Dimepranol

HCID 37511CAS 108-16-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(O)CN(C)C
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
분자식: C5H13NO
평균 분자량: 103.16 g/mol
단동위원소 질량: 103.09971404

이름 및 식별자

우선 이름: Dimepranol
IUPAC: 1-(dimethylamino)propan-2-ol
현지명: 1-디메틸아미노-2-프로판올
영어명: 1-Dimethylamino-2-propanol
분자식: C5H13NO
분자량: 103.16

이름 및 동의어

108-16-7Dimepranol1-(Dimethylamino)propan-2-ol1-(Dimethylamino)-2-propanolDimethylisopropanolamineN,N-DimethylisopropanolamineDimethyl(2-hydroxypropyl)amine2-PROPANOL, 1-(DIMETHYLAMINO)-Dimepranol [INN]N,N-Dimethyl-2-hydroxypropylamineDimepranolumN,N-(Dimethylamino)-2-propanol

이름 더 보기

1-디메틸아미노-2-프로판올n,n-다이메틸이소프로판올아민1-(다이메틸아미노)-2-프로판올1-다이메틸아미노-2-프로판올(±)-1-(N,N-다이메틸아미노)-2-프로판올(±)-1-(다이메틸아미노)-2-프로판올1,1-다이메틸아미노프로판올-21-메틸-2-(다이메틸아미노)에탄올2-(다이메틸아미노)-1-메틸-1-에탄올2-(다이메틸아미노)-1-메틸에탄올2-프로판올, 1-(다이메틸아미노)2-프로판올, 1-(다이메틸아미노)-N,N-다이메틸아이소프로판올아민다이메틸(2-하이드록시프로필)아민다이메틸이소프로판올아민프로판-2-올, 1-(다이메틸아미노)-디메틸이소프로판올아민INNDIMETHYLAMINO-2-PROPANOL1-Dimethylamino-2-propanol,N,N-DimethylisopropanolamineDMA 2P1-DimethyLBisoMer AMine D 7001-Dimethylamino-2-pr

1,1-Dimethylaminopropanol-22-Propanol, 1,1-(dimethylamino)-DTXSID5031210Dimepranolum [INN-Latin]NSC 31632-(Dimethylamino)-1-methylethanolEINECS 203-556-4n,n-dimethylamino-2-propanol

데이터베이스 식별자

CAS: 108-16-7
PubChem CID: 37511
DTXSID: DTXSID5031210
ChEMBL: CHEMBL3186209
UNII: OX17195H4T
EC Number: 203-556-4
Nikkaji: J112.300I

물성

구조 계산 물성

XLogP: 0
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 45.3

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

DrugsPharmaceuticals

Physical DescriptionLiquid

물리화학적 성질

녹는점: -85 °C · -85 °C
끓는 점: 96 °C · 96 °C
밀도: 0.913 g/mL · 0.913 g/mL at 25 °C
증기 밀도: 3.6 · 3.6 (vs air)
증기압: 8 mm · 8 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.42
인화점: 96 °F · 96 °F
저장 조건: 30 °C · Store below +30°C.
용해도: Methanol (Soluble)
물리적 상태: 액체
산도 계수 (pKa): 14.95 · 14.95±0.20(Predicted)
색상: 무색~황색으로 투명함
수소이온지수(pH): 11 · 11 (100g/l, H2O, 20℃)
폭발한계: 2.7 · 2.7-11.1%(V)
수용성: 혼용 가능
BRN: 1209244 · 1209244
안정성: 안정적인. 가연성. 강한 산화제, 아민, 산과 호환되지 않습니다.
화장품 원료 기능: 버퍼링
InChI: 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
SMILES: CC(O)CN(C)C
LogP: -0.12 at · -0.12 at 23℃
NIST: 2 · 2-Propanol, 1-(dimethylamino)-(108-16-7)
EPA: 2 · 2-Propanol, 1-(dimethylamino)- (108-16-7)

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Chemical: 2-Propanol, 1-(dimethylamino)-

2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- 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: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12061

1-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 4건

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flammable agents - 3rd degree

Flam. Liq. 3

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: UB3150000
ridadr: UN 2734 8/PG 2
독성: LD50 orally in Rabbit: 1360 mg/kg
HS 번호: 29221980
risk_code: 10-22-34
hazard_code: C
safety_code: 26-36/37/39-45-36-23
포장분류: II
위험 등급: 8
기존화학 물질: KE-11186
F 고인화성물질: 10-34
자연 발화 온도: 225 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >50

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

2-Propanol, 1-(dimethylamino)-: ACTIVE

응용 분야 · 2건

용도1-Dimethylamino-2-propanol is one of the compounds used to identify the illegal manufacture of methadone.cv

일반 설명1-Dimethylamino-2-propanol (1DMA2P, DMAPH), a tertiary amine, is a dimethylamino-alcohol having high boiling point. It is a potent protector against mechlorethamine cytotoxicity and inhibitor of choline uptake. Kinetics of homogeneous reaction of carbon dioxide (CO2) with 1-dimethylamino-2-propanol in water has been investigated using stopped-flow technique.