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CAS 80-52-4 1,8-DIAMINO-P-MENTHANE molecular structure lightbox
CAS RN: 80-52-4

1,8-DIAMINO-P-MENTHANE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 1ml In stock Shanghai Inquiry
Batchno.20250503 25ml In stock Shanghai, Shandong Inquiry
Batchno.20250624 5ml In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS80-52-4
  • Purity/Analytical Methods: >99.0%
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80-52-4 / 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine

Standard CAS: 80-52-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80-52-4
Multi CAS
Yes
Molecular Formula
C10H22N2
Molecular Weight
170.300000
Exact Mass
170.178299
InChI
InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3
InChIKey
KOGSPLLRMRSADR-UHFFFAOYSA-N

Physical Properties

Melting Point
-49 °F (NTP, 1992)
Boiling Point
225 to 259 °F at 10 mmHg (NTP, 1992)
Density
0.914 at 68 °F (NTP, 1992) - Less dense than water; will float
Physical Description
Blackish liquid. (NTP, 1992)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.82
TPSA
52.04

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
0.7
Consensus LogP
1.25
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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