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CAS 4747-21-1 N-Methylisopropylamine molecular structure lightbox
CAS RN: 4747-21-1

N-Methylisopropylamine

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 100ml In stock Shanghai, Shandong Inquiry
Batchno.20250328 2.5L In stock Shandong Inquiry
Batchno.20250523 25ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251123 500ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251231 5ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250217 1ml Out of stock 8-10 business days Inquiry
  • Product code: ICTM2429
  • Purity/Analytical Methods: >98.0%(GC)
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4747-21-1 / N-methylpropan-2-amine

Standard CAS: 4747-21-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4747-21-1
Multi CAS
Yes
Molecular Formula
C4H11N
Molecular Weight
73.140000
Exact Mass
73.089149
InChI
InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
InChIKey
XHFGWHUWQXTGAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.2
TPSA
12.03

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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