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

Overview

a ligand for affinity chromatography

Names & identifiers

Preferred name: N,N-bis(3-aminopropyl)methylamine
IUPAC: N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
English name: N,N-Bis(3-aminopropyl)methylamine
Molecular formula: C7H19N3
Molecular weight: 145.25

Names & synonyms

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-

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 55.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 57.9

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: -30 · -30--28°C
Boiling point: 110 · 110-112 °C/6 mmHg (lit.)
Density: 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
vapor pressure: 6 mm · 6 mm Hg ( 110 °C)
refractive index: 20 · n20/D 1.4725(lit.)
Flash point: 217 °F · 217 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Completely miscible in water
form: Liquid
pka: 1 · pK1:6.32(+3);pK2:9.19(+2);pK3:10.33(+1) (30°C)
color: Colorless to Almost colorless
Water Solubility: 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 DataBase Reference: 105 · 105-83-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 62 ZM34D74O · 62ZM34D74O
NIST Chemistry Reference: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-(105-83-9)
EPA Substance Registry System: 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl- (105-83-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311-H314-H330
Precautionary statements: 260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 22 · 22-23/24-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2810 · UN 2810 6.1/PG 2
WGK Germany: 1 · 1
RTECS: 9625000 · JL9625000
TSCA: TSCA listed
HS Code: 2921.29 · 2921.29.0055
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Toxicity: 50 orl-rat: · LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67
REACH Registrations: Active
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 4 items

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 items

Acute Tox. 4 (100%)

Skin corrosion - category 1B

Acute Tox. 3 *

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: JL9625000
ridadr: UN 2810 6.1/PG 2
hs_code: 2921.29.0055
Toxicity: LD50 orl-rat: 1540 mg/kg UCDS** 2/28/67
risk_code: 22-23/24-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1(a)
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H302-H311-H314-H330
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

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

Applications · 1 item

Uses3,3′-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