CAS RN: 1072449-62-7
2-AMino-2-(3-Methylphenyl)acetic Acid 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.20250109 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-008719
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1072449-62-7 / 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
2-AMINO-2-(3-METHYLPHENYL)ACETIC ACID HYDROCHLORIDE | 2-Amino-2-(m-tolyl)acetic acid hydrochloride | 2-Amino-2-(3-methylphenyl)acetic acid HCl
Basic Information
CAS
1072449-62-7
Multi CAS
Yes
Molecular Formula
C9H12ClNO2
Molecular Weight
201.650000
Exact Mass
201.055656
SMILES
CC1=CC(=CC=C1)C(C(=O)O)N.Cl
InChI
InChI=1S/C9H11NO2.ClH/c1-6-3-2-4-7(5-6)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H
InChIKey
LWJTVGAVWMCIKT-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(3-METHYLPHENYL)ACETIC ACID HYDROCHLORIDE
2-Amino-2-(m-tolyl)acetic acid hydrochloride
2-Amino-2-(3-methylphenyl)acetic acid HCl
MFCD06410554
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.99
TPSA
63.32
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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