CAS RN: 10275-21-5
N,N-diMethyl-2-phenylethylaMine hydrochloride (USAF EL-79)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS10275-21-5
- Purity/Analytical Methods: >99.0%
10275-21-5 / N,N-dimethyl-2-phenylethanamine;hydrochloride
Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1) | Benzeneethanamine, N,N-dimethyl-, hydrochloride | N,N-Dimethyl-2-phenethylamine hydrochloride
Basic Information
CAS
10275-21-5
Multi CAS
No
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CN(C)CCC1=CC=CC=C1.Cl
InChI
InChI=1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey
OVBRYLBVLSAOAS-UHFFFAOYSA-N
Synonyms
Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1)
Benzeneethanamine, N,N-dimethyl-, hydrochloride
N,N-Dimethyl-2-phenethylamine hydrochloride
0B645VB20Y
NSC-169247
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.95
TPSA
3.24
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.28
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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