CAS 616-29-5 1,3-Diamino-2-propanol (HCID 61157)

이름 및 식별자

우선 이름: 1,3-Diamino-2-propanol
IUPAC: 1,3-diaminopropan-2-ol
영어명: 1,3-Diamino-2-propanol
분자식: C3H10N2O
분자량: 90.12

이름 및 동의어

1,3-Diamino-2-propanol616-29-51,3-Diamino-2-hydroxypropane2-PROPANOL, 1,3-DIAMINO-Diaminoisopropanol2-Hydroxy-1,3-diaminopropane2-Hydroxy-1,3-propanediamineNSC-6070DTXSID3060663L59259H635RefChem:72572DTXCID2043080

이름 더 보기

Glycerol-α,γ-diamine1,3-diamino-2-propano2-Hydroxypropylenediamine1,3-Diamino-2-propanol>1,3-DIAMINO-2-HYDROXYPROPAN1,3-Diamino-2-propanol ,97%

210-474-21,3-Diaminopropan-2-olMFCD00008142C3H10N2OUNII-L59259H635EINECS 210-474-2NSC 6070AI3-15325

데이터베이스 식별자

CAS: 616-29-5
PubChem CID: 61157
DTXSID: DTXSID3060663
ChEMBL: CHEMBL177097
UNII: L59259H635
EC Number: 210-474-2
Nikkaji: J1.660H

물성

구조 계산 물성

XLogP: -2.3
극성 표면적: 72.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 28

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: 40 · 40-44 °C(lit.)
끓는 점: 235 °C · 235°C
밀도: 1.0352 · 1.0352 (rough estimate)
굴절률: 1.461 · 1.4610 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 1 g/10mL · 물: 용해성1g/10mL
물리적 상태: 저융점 고체
산도 계수 (pKa): 9.69 · 9.69, 7.93(at 20℃)
색상: 흰색에서 노란색으로
수용성: 물에 매우 잘 녹습니다.
BRN: 741859 · 741859
InChI: InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChIKey: UYBWIEGTWASWSR-UHFFFAOYSA-N
SMILES: C(N)C(O)CN
EPA: 2 · 2-Propanol, 1,3-diamino- (616-29-5)

화학적 성질

white to yellowish low melting solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.2% (5 of 158) of reports.

Danger

H302 (67.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 158 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propanol, 1,3-diamino-

2-Propanol, 1,3-diamino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,3-diamino- 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: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7476

Hazard Classes and CategoriesAcute Tox. 4 (67.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3259
HS 번호: 29221990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
포장분류: III
위험 등급: 8
기존화학 물질: KE-09750
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 198,634 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

2-Propanol, 1,3-diamino-: ACTIVE

응용 분야 · 2건

개요1,3-Diamino-2-propanol (DAP), also known as 2-hydroxy-1,3-diaminopropane, is a white to yellowish low melting solid. Keep in a cool, well-ventilated place. Avoid prolonged storage periods. Store under inert gas, in a tightly sealed container and at ambient temperatures. 1,3-Diamino-2-propanol is incompatible with acids and strong oxidizing agents and should not be stored or handled in their vicinity.

용도1,3-Diamino-2-propanol is a versatile bidentate diamine ligand which is used in the synthesis of a variety of organometallic compounds.It is a precursor to synthesize the fluorogenic dsDNA binder, N1,N3-bis(4-amidinophenyl)propane-1,3-diamine (BAPPA).It can also be used as a branching unit in the synthesis of peptide dendrimers.