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CAS 513-37-1 1-CHLORO-2-METHYL-1-PROPENE molecular structure lightbox
CAS RN: 513-37-1

1-CHLORO-2-METHYL-1-PROPENE

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100g In stock Inquiry
Batchno.20250523 1g In stock Inquiry
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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS513-37-1
  • Purity/Analytical Methods: >99.0%
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513-37-1 / 1-chloro-2-methylprop-1-ene

Standard CAS: 513-37-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
513-37-1
Multi CAS
No
Molecular Formula
C4H7CL
Molecular Weight
90.550000
Exact Mass
90.023628
InChI
InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3
InChIKey
KWISWUFGPUHDRY-UHFFFAOYSA-N

Physical Properties

Boiling Point
154 °F at 760 mmHg (NTP, 1992) 68 °C
Density
0.9186 at 68 °F (NTP, 1992) - Less dense than water; will float 0.9186 g/cu cm at 20 °C
Physical Description
Dimethylvinyl chloride is a clear dark yellow to pale orange liquid. (NTP, 1992) Colorless, highly volatile liquid; [HSDB] Dark yellow to pale orange liquid; [CAMEO] Very faintly yellow-brown liquid
Appearance
Clear, colorless to brown liquid at room temperature Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Molar refractivity
25.28
TPSA
0.0000

LogP / Solubility

WLOGP
2.15
MLOGP
1.88
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-1.75

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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