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CAS 127346-48-9 N-BOC-1,3-DIAMINOPROPANE HYDROCHLORIDE molecular structure lightbox
CAS RN: 127346-48-9

N-BOC-1,3-DIAMINOPROPANE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100g In stock Shanghai Inquiry
Batchno.20250726 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250309 1g In stock Shanghai Inquiry
Batchno.20251202 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250515 25g In stock Shanghai Inquiry
Batchno.20260129 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-034857
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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: 25g
  • 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 127346-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

127346-48-9 / tert-butyl N-(3-aminopropyl)carbamate;hydrochloride

Standard CAS: 127346-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127346-48-9
Multi CAS
No
Molecular Formula
C8H19ClN2O2
Molecular Weight
210.700000
Exact Mass
210.113506
SMILES
CC(C)(C)OC(=O)NCCCN.Cl
InChI
InChI=1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5-9;/h4-6,9H2,1-3H3,(H,10,11);1H
InChIKey
WUXOJNUZYOFBMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.16
TPSA
64.35

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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