CAS RN: 1187172-21-9
3-(3-Methylphenyl)Pyrrolidine Hydrochloride
- Product code: SSC-018637
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1187172-21-9 / 3-(3-methylphenyl)pyrrolidine;hydrochloride
3-(m-Tolyl)pyrrolidine hydrochloride | 3-(3-methylphenyl)pyrrolidine;hydrochloride | MFCD10574754
Basic Information
CAS
1187172-21-9
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
CC1=CC(=CC=C1)C2CCNC2.Cl
InChI
InChI=1S/C11H15N.ClH/c1-9-3-2-4-10(7-9)11-5-6-12-8-11;/h2-4,7,11-12H,5-6,8H2,1H3;1H
InChIKey
MKVSBEJOOGFDFC-UHFFFAOYSA-N
Synonyms
3-(m-Tolyl)pyrrolidine hydrochloride
3-(3-methylphenyl)pyrrolidine;hydrochloride
MFCD10574754
3-(3-Methylphenyl)Pyrrolidine Hydrochloride
3-(m-Tolyl)pyrrolidinehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.65
TPSA
12.03
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.16
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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