CAS RN: 2701987-79-1
1-(Naphthalen-2-yl)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.20260322 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2701987-79-1
- Purity/Analytical Methods: >99.0%
2701987-79-1 / 1-naphthalen-2-ylpropan-1-amine;hydrochloride
Basic Information
CAS
2701987-79-1
Multi CAS
No
Molecular Formula
C13H16ClN
Molecular Weight
221.720000
Exact Mass
221.097127
SMILES
CCC(C1=CC2=CC=CC=C2C=C1)N.Cl
InChI
InChI=1S/C13H15N.ClH/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,13H,2,14H2,1H3;1H
InChIKey
CTQRODCNABQFFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.42
TPSA
26.02
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3.67
Consensus LogP
3.52
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1-(5-fluoro-2-methylphenyl)ethanamine
- CAS RN: 2702068-03-7
- Product Code: starshine_CAS2702068-03-7
- Purity/Analytical method: >99.0%
-
2,6-Piperidinedione, 3-(1,3-dihydro-4-hydroxy-1-oxo-2H-isoindol-2-yl)-, (3S)-
- CAS RN: 2702457-63-2
- Product Code: starshine_CAS2702457-63-2
- Purity/Analytical method: >99.0%
-
Benzenemethanamine, α,2-dimethyl-3-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
- CAS RN: 2703745-60-0
- Product Code: starshine_CAS2703745-60-0
- Purity/Analytical method: >99.0%
-
hydrochloride
- CAS RN: 2703745-64-4
- Product Code: starshine_CAS2703745-64-4
- Purity/Analytical method: >99.0%
-
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester, (1S)-
- CAS RN: 2703745-74-6
- Product Code: starshine_CAS2703745-74-6
- Purity/Analytical method: >99.0%
-
Pyrrolidine, 2-(2,4-difluorophenyl)-, hydrochloride (1:1), (2R)-
- CAS RN: 2703745-83-7
- Product Code: starshine_CAS2703745-83-7
- Purity/Analytical method: >99.0%
