CAS RN: 1032114-81-0
(S)-1-(2,4-DiMethylphenyl)propan-1-aMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1032114-81-0
- Purity/Analytical Methods: >99.0%
1032114-81-0 / (1S)-1-(2,4-dimethylphenyl)propan-1-amine;hydrochloride
1-(2,4-DIMETHYLPHENYL)PROPAN-1-AMINE HYDROCHLORIDE | [1-(2,4-dimethylphenyl)propyl]amine hydrochloride | MFCD18483414
Basic Information
CAS
1032114-81-0
Multi CAS
Yes
Molecular Formula
C11H18ClN
Molecular Weight
199.720000
Exact Mass
199.112777
SMILES
CC[C@@H](C1=C(C=C(C=C1)C)C)N.Cl
InChI
InChI=1S/C11H17N.ClH/c1-4-11(12)10-6-5-8(2)7-9(10)3;/h5-7,11H,4,12H2,1-3H3;1H/t11-;/m0./s1
InChIKey
IBRGHVMFMQNILO-MERQFXBCSA-N
Synonyms
1-(2,4-DIMETHYLPHENYL)PROPAN-1-AMINE HYDROCHLORIDE
[1-(2,4-dimethylphenyl)propyl]amine hydrochloride
MFCD18483414
1-(2,4-dimethylphenyl)propan-1-amine;hydrochloride
[1-(2,4-DIMETHYLPHENYL)PROPYL]AMINE HCL
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.38
TPSA
26.02
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.14
Consensus LogP
3.01
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.71
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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