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CAS 1188263-67-3 1-N-BOC-1-N-Methyl-1,3-DIAMINOPROPANE-HCl molecular structure lightbox
CAS RN: 1188263-67-3

1-N-BOC-1-N-Methyl-1,3-DIAMINOPROPANE-HCl

  • Product code: SSC-019032
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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: ≥95%
  • 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 1188263-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1188263-67-3 / tert-butyl N-(3-aminopropyl)-N-methylcarbamate;hydrochloride

tert-Butyl (3-aminopropyl)(methyl)carbamate hydrochloride | MFCD04973126 | 1-N-BOC-1-N-Methyl-1,3-DIAMINOPROPANE-HCl

Standard CAS: 1188263-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188263-67-3
Multi CAS
Yes
Molecular Formula
C9H21ClN2O2
Molecular Weight
224.730000
Exact Mass
224.129156
SMILES
CC(C)(C)OC(=O)N(C)CCCN.Cl
InChI
InChI=1S/C9H20N2O2.ClH/c1-9(2,3)13-8(12)11(4)7-5-6-10;/h5-7,10H2,1-4H3;1H
InChIKey
ZPISLPKNUNZUJQ-UHFFFAOYSA-N
Synonyms
tert-Butyl (3-aminopropyl)(methyl)carbamate hydrochloride MFCD04973126 1-N-BOC-1-N-Methyl-1,3-DIAMINOPROPANE-HCl Boc,Me-DAP.HCl Tert-butyl(3-aminopropyl)(methyl)carbamate hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.78
TPSA
55.56

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.94

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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