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CAS 118753-70-1 N-Boc-N,N-bis(2-chloroethyl)amine molecular structure lightbox
CAS RN: 118753-70-1

N-Boc-N,N-bis(2-chloroethyl)amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260427 1g / 25g / 100g / 500g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-018704
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118753-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Shenzhen Inquiry
500g >95% 2 In Stock Hong Kong Inquiry
1000g >95% 2 In Stock Beijing Inquiry

118753-70-1 / tert-butyl N,N-bis(2-chloroethyl)carbamate

N-Boc-N,N-bis(2-chloroethyl)amine | RefChem:829345 | 822-891-2

Standard CAS: 118753-70-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118753-70-1
Multi CAS
Yes
Molecular Formula
C9H17Cl2NO2
Molecular Weight
242.140000
Exact Mass
241.063634
SMILES
CC(C)(C)OC(=O)N(CCCl)CCCl
InChI
InChI=1S/C9H17Cl2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKey
FQZLNQAUUMSUHT-UHFFFAOYSA-N
Synonyms
N-Boc-N,N-bis(2-chloroethyl)amine RefChem:829345 822-891-2 tert-butyl bis(2-chloroethyl)carbamate Tert-butyl N,N-bis(2-chloroethyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
59.25
TPSA
29.54

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-2.28

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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