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CAS 1179361-35-3 1-N-Boc-2-methylpropane-1,2-diamine molecular structure lightbox
CAS RN: 1179361-35-3

1-N-Boc-2-methylpropane-1,2-diamine

  • Product code: SSC-017778
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1179361-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1179361-35-3 / tert-butyl N-(2-amino-2-methylpropyl)carbamate;hydrochloride

1-N-Boc-2-Methylpropane-1,2-diamine hydrochloride | MFCD11112241 | tert-butyl N-(2-amino-2-methylpropyl)carbamate;hydrochloride

Standard CAS: 1179361-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179361-35-3
Multi CAS
No
Molecular Formula
C9H21ClN2O2
Molecular Weight
224.730000
Exact Mass
224.129156
SMILES
CC(C)(C)OC(=O)NCC(C)(C)N.Cl
InChI
InChI=1S/C9H20N2O2.ClH/c1-8(2,3)13-7(12)11-6-9(4,5)10;/h6,10H2,1-5H3,(H,11,12);1H
InChIKey
PAOAZNAQCMJOFM-UHFFFAOYSA-N
Synonyms
1-N-Boc-2-Methylpropane-1,2-diamine hydrochloride MFCD11112241 tert-butyl N-(2-amino-2-methylpropyl)carbamate;hydrochloride 1-N-Boc-2-methylpropane-1,2-diamine SCHEMBL30183369

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
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)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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
1.5

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