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CAS 598-74-3 1,2-Dimethylpropylamine molecular structure lightbox
CAS RN: 598-74-3

1,2-Dimethylpropylamine

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 1ml In stock Inquiry
Batchno.20251202 25ml In stock Inquiry
Batchno.20260502 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 5ml / 25ml Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS598-74-3
  • Purity/Analytical Methods: >99.0%
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598-74-3 / 3-methylbutan-2-amine

Standard CAS: 598-74-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
598-74-3
Multi CAS
Yes
Molecular Formula
C5H13N
Molecular Weight
87.160000
Exact Mass
87.104799
InChI
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey
JOZZAIIGWFLONA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.49
TPSA
26.02

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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