CAS RN: 292606-35-0
N-(tert-Butoxycarbonyl)-2,2-dimethyl-1,3-propanediamine
- Product code: SSC-131881
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
292606-35-0 / tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
Basic Information
CAS
292606-35-0
Multi CAS
Yes
Molecular Formula
C10H22N2O2
Molecular Weight
202.290000
Exact Mass
202.168128
InChI
InChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)12-7-10(4,5)6-11/h6-7,11H2,1-5H3,(H,12,13)
InChIKey
QLPCQDZWRXWROH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.07
TPSA
64.35
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
3,3′,3”-Nitrilotris(propionamide)
- CAS RN: 2664-61-1
- Product Code: ICTN0342
- Purity/Analytical method: >98.0%(T)
-
-
-
