CAS RN: 1179360-83-8
1-N-Boc-butane-1,2-diamine-HCl
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.20260408 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1179360-83-8
- Purity/Analytical Methods: >99.0%
1179360-83-8 / tert-butyl N-(2-aminobutyl)carbamate;hydrochloride
1-N-Boc-Butane-1,2-diamine hydrochloride | 1-N-Boc-butane-1,2-diamine-HCl | MFCD11112245
Basic Information
CAS
1179360-83-8
Multi CAS
Yes
Molecular Formula
C9H21ClN2O2
Molecular Weight
224.730000
Exact Mass
224.129156
SMILES
CCC(CNC(=O)OC(C)(C)C)N.Cl
InChI
InChI=1S/C9H20N2O2.ClH/c1-5-7(10)6-11-8(12)13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H
InChIKey
WQRDYZWMTDDLDE-UHFFFAOYSA-N
Synonyms
1-N-Boc-Butane-1,2-diamine hydrochloride
1-N-Boc-butane-1,2-diamine-HCl
MFCD11112245
tert-butyl N-(2-aminobutyl)carbamate;hydrochloride
1-N-Boc-Butane-1,2-diaminehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.75
TPSA
64.35
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.91
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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