CAS RN: 102879-25-4
1-Phenylprop-2-en-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.20260611 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS102879-25-4
- Purity/Analytical Methods: >99.0%
102879-25-4 / 1-phenylprop-2-en-1-amine;hydrochloride
1-phenylprop-2-en-1-amine hydrochloride | 1-phenylprop-2-en-1-amine;hydrochloride | MFCD16658577
Basic Information
CAS
102879-25-4
Multi CAS
No
Molecular Formula
C9H12ClN
Molecular Weight
169.650000
Exact Mass
169.065827
SMILES
C=CC(C1=CC=CC=C1)N.Cl
InChI
InChI=1S/C9H11N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h2-7,9H,1,10H2;1H
InChIKey
SMLXICHDYHVTSX-UHFFFAOYSA-N
Synonyms
1-phenylprop-2-en-1-amine hydrochloride
1-phenylprop-2-en-1-amine;hydrochloride
MFCD16658577
SCHEMBL3919212
1-phenylprop-2-en-1-amine HCl
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.82
TPSA
26.02
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3(2H)-Isoquinolinone,5,6,7,8-tetrahydro-(9CI)
- CAS RN: 102879-33-4
- Product Code: SSC-004228
-
5-Hydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride
- CAS RN: 102879-34-5
- Product Code: SSC-004229
-
-
-
-
