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CAS 105-83-9 3,3′-Diamino-N-methyldipropylamine molecular structure lightbox
CAS RN: 105-83-9

3,3′-Diamino-N-methyldipropylamine

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7 package records7 with current stock2 grade groups
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Batchno.20250216 100ml In stock Inquiry
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Batchno.20260408 25ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250715 500ml In stock Shanghai Inquiry
Batchno.20250704 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTB0821
  • Purity/Analytical Methods: >98.0%(GC)(T)
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105-83-9 / N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine

N,N-Bis(3-aminopropyl)methylamine | 3,3'-Diamino-N-methyldipropylamine | Bis(3-aminopropyl)methylamine

Standard CAS: 105-83-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105-83-9
Multi CAS
Yes
Molecular Formula
C7H19N3
Molecular Weight
145.250000
Exact Mass
145.157898
SMILES
CN(CCCN)CCCN
InChI
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKey
KMBPCQSCMCEPMU-UHFFFAOYSA-N
Synonyms
N,N-Bis(3-aminopropyl)methylamine 3,3'-Diamino-N-methyldipropylamine Bis(3-aminopropyl)methylamine Methyliminobispropylamine 5-Methyldipropylenetriamine

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.84
TPSA
55.28

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.9
Consensus LogP
-0.54
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
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 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

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