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

Überblick

a ligand for affinity chromatography

Namen und Bezeichner

Bevorzugter Name: N,N-bis(3-aminopropyl)methylamine
IUPAC: N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
Lokaler Name: N-(3-Aminopropyl)-N-methyl-1,3-propandiamin
Englischer Name: N,N-Bis(3-aminopropyl)methylamine
Summenformel: C7H19N3
Molmasse: 145.25

Namen und Synonyme

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-

Weitere Namen anzeigen

N1-(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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 55,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 57,9

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -30 · -30--28°C
Siedepunkt: 110 · 110-112 °C/6 mmHg (lit.)
Dichte: 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
Dampfdruck: 6 mm · 6 mm Hg ( 110 °C)
Brechungsindex: 20 · n20/D 1.4725(lit.)
Flammpunkt: 217 °F · 217 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Completely miscible in water
Aggregatzustand: Liquid
pka: 1 · pK1:6.32(+3);pK2:9.19(+2);pK3:10.33(+1) (30°C)
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 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℃
CAS Datenbank: 105 · 105-83-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-(105-83-9)
EPA chemische Informationen: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl- (105-83-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 4 Einträge

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 · 3 Einträge

Acute Tox. 4 (100%)

Skin corrosion - category 1B

Acute Tox. 3 *

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 2
hs_code: 2921.29.0055
RTECS-Nr.: JL9625000
risk_code: 22-23/24-34
Toxizität: LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1(a)
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

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

Anwendungen · 1 Eintrag

Verwenden3,3′-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