![CAS 1207541-15-8 [(3R)-1-methylpyrrolidin-3-yl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207541-15-8.gif)
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 | Shenzhen | Inquiry |
1207541-15-8 / [(3R)-1-methylpyrrolidin-3-yl]methanamine
(1-methylpyrrolidin-3-yl)methanamine | RefChem:392427 | 820-423-1
Basic Information
CAS
1207541-15-8
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
CN1CC[C@@H](C1)CN
InChI
InChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3/t6-/m1/s1
InChIKey
BAOBZCAXECCBQL-ZCFIWIBFSA-N
Synonyms
(1-methylpyrrolidin-3-yl)methanamine
RefChem:392427
820-423-1
C-(1-Methyl-pyrrolidin-3-yl)-methylamine
3-Pyrrolidinemethanamine, 1-methyl-
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.66
TPSA
29.26
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.3
Consensus LogP
-0.17
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very 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)
-3.49
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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