CAS RN: 1212925-87-5
(R)-1-(M-Tolyl)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.20260613 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1212925-87-5
- Purity/Analytical Methods: >99.0%
1212925-87-5 / (1R)-1-(3-methylphenyl)propan-1-amine;hydrochloride
1-(m-Tolyl)propan-1-amine | 1-(3-methylphenyl)propan-1-amine | MFCD12154065
Basic Information
CAS
1212925-87-5
Multi CAS
Yes
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CC[C@H](C1=CC=CC(=C1)C)N.Cl
InChI
InChI=1S/C10H15N/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7,10H,3,11H2,1-2H3/t10-/m1/s1
InChIKey
SZJIHSSKEPYVBG-SNVBAGLBSA-N
Synonyms
1-(m-Tolyl)propan-1-amine
1-(3-methylphenyl)propan-1-amine
MFCD12154065
(1S)-1-(3-methylphenyl)propan-1-amine
1-(3-Methylphenyl)-propan-1-amine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.65
TPSA
26.02
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.85
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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