N,N-bis(3-aminopropyl)methylamine (HCID 7777)

개요

a ligand for affinity chromatography

이름 및 식별자

우선 이름: N,N-bis(3-aminopropyl)methylamine
IUPAC: N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
현지명: N-메틸사이클로헥실아민
영어명: N,N-Bis(3-aminopropyl)methylamine
분자식: C7H19N3
분자량: 145.25

이름 및 동의어

N,N-Bis(3-aminopropyl)methylamine105-83-93,3'-Diamino-N-methyldipropylamineBis(3-aminopropyl)methylamineMethyliminobispropylamine5-MethyldipropylenetriamineN-Methyliminobis propylamineMethylbis(3-aminopropyl)amine1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-3,3'-MethyliminobispropylamineN-Methyl-N,N-bis(3-aminopropyl)aminePropylamine, 3,3'-(methylimino)bis-

이름 더 보기

3-메틸-3,3'-이미노비스(프로필아)아민3-메틸-3,3'-이미노비스(프로필아민)N-메틸사이클로헥실아민N,N-비스(3-아미노프로필)메틸아민N1-(3-AMinopropyl)-N1-Methylpropane-1,3-diaMineMIBPA3,3'-MethyliminobiN1-(3-Aminopropyl)3,3'-Diamino-N-methyLN,N-Bis(3-aminopropyl)meMerhyliminobispropylamineN-MethyldipropylenetriamineMETHYLIMINO BIS PROPYLAMINE

NSC 8173N,N-Bis(gamma-aminopropyl)methylamineDi(gamma-aminopropyl)methylamineMethylamine, N,N-bis(3-aminopropyl)-DIPROPYLAMINE, 3,3'-DIAMINO-N-METHYL-Bis(gamma-aminopropyl)methylamineDi(.gamma.-aminopropyl)methylamineBis(.gamma.-aminopropyl)methylamine

데이터베이스 식별자

CAS: 105-83-9、11071-12-8
PubChem CID: 7777
DTXSID: DTXSID1044510
ChEMBL: CHEMBL283720
UNII: 62ZM34D74O
EC Number: 203-336-8、234-292-8
Nikkaji: J1.184C

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 55.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 57.9

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -30 · -30--28°C
끓는 점: 110 · 110-112 °C/6 mmHg (lit.)
밀도: 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
증기압: 6 mm · 6 mm Hg ( 110 °C)
굴절률: 20 · n20/D 1.4725(lit.)
인화점: 217 °F · 217 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Completely miscible in water
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1:6.32(+3);pK2:9.19(+2);pK3:10.33(+1) (30°C)
색상: 무색 내지 거의 무색
수용성: 1000 g/L · 1000g/L at 20℃
InChI: 1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKey: KMBPCQSCMCEPMU-UHFFFAOYSA-N
SMILES: CN(CCCN)CCCN
LogP: -0.94 at · -0.94 at 25℃
NIST: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-(105-83-9)
EPA: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl- (105-83-9)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-

1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl- 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: 14-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11925

1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)

Skin corrosion - category 1B

Acute Tox. 3 *

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: JL9625000
ridadr: UN 2810 6.1/PG 2
독성: LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67
HS 번호: 2921.29.0055
risk_code: 22-23/24-34
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1(a)
기존화학 물질: 2004-3-2898
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-: ACTIVE

응용 분야 · 1건

용도3,3′-Diamino-N-methyldipropylamine was used in the synthesis of:new bischromone derivatives, potential anticancer drugspolyamine derivatives containing dimeric quinolone, cinnoline and phthalimide moieties3-(2,4-dinitroanilino)-3′-amino-N-methyldipropylamine