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CAS 1051420-13-3 N-Carbobenzoxy-1,10-diaminodecane Hydrochloride molecular structure lightbox
CAS RN: 1051420-13-3

N-Carbobenzoxy-1,10-diaminodecane Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006888
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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: 1g
  • 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 1051420-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1051420-13-3 / benzyl N-(10-aminodecyl)carbamate;hydrochloride

n-carbobenzoxy-1,10-diaminodecane hydrochloride | RefChem:829466 | 834-442-8

Standard CAS: 1051420-13-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1051420-13-3
Multi CAS
No
Molecular Formula
C18H31ClN2O2
Molecular Weight
342.900000
Exact Mass
342.207406
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCCCCCCN.Cl
InChI
InChI=1S/C18H30N2O2.ClH/c19-14-10-5-3-1-2-4-6-11-15-20-18(21)22-16-17-12-8-7-9-13-17;/h7-9,12-13H,1-6,10-11,14-16,19H2,(H,20,21);1H
InChIKey
XDIZWAPVTINSPI-UHFFFAOYSA-N
Synonyms
n-carbobenzoxy-1,10-diaminodecane hydrochloride RefChem:829466 834-442-8 MFCD08272290 benzyl N-(10-aminodecyl)carbamate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.87
TPSA
64.35

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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