[email protected]
CAS 109792-60-1 1-BOC-1,12-DIAMINODODECANE molecular structure lightbox
CAS RN: 109792-60-1

1-BOC-1,12-DIAMINODODECANE

  • Product code: SSC-011112
GET A QUOTE
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
Request Bulk Quote

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 109792-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

109792-60-1 / tert-butyl N-(12-aminododecyl)carbamate

Tert-butyl N-(12-aminododecyl)carbamate | Boc-NH-C12-NH2 | tert-Butyl (12-aminododecyl)carbamate

Standard CAS: 109792-60-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109792-60-1
Multi CAS
Yes
Molecular Formula
C17H36N2O2
Molecular Weight
300.500000
Exact Mass
300.277678
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKey
ZFSCBYAYUUFEPJ-UHFFFAOYSA-N
Synonyms
Tert-butyl N-(12-aminododecyl)carbamate Boc-NH-C12-NH2 tert-Butyl (12-aminododecyl)carbamate MFCD02094503 N-Boc-dodecane-1,12-diamine

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.46
TPSA
64.35

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
4.7
Consensus LogP
4.31
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
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)
-1.45

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us