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CAS 1892-57-5 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide molecular structure lightbox
CAS RN: 1892-57-5

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide

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9 package records8 with current stock4 grade groups
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Batchno.20251109 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
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Batchno.20260208 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
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Batchno.20260606 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260126 500g In stock Tianjin, Wuhan Inquiry
Batchno.20250709 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
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Batchno.20250607 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20250815 1g In stock Shanghai Inquiry
  • Product code: ICTD4029
  • Purity/Analytical Methods: >98.0%(GC)(T)
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1892-57-5 / 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine

Standard CAS: 1892-57-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1892-57-5
Multi CAS
No
Molecular Formula
C8H17N3
Molecular Weight
155.240000
Exact Mass
155.142248
SMILES
CCN=C=NCCCN(C)C
InChI
InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKey
LMDZBCPBFSXMTL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; [Merck Index] Colorless to pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
48.44
TPSA
27.96

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
1.9
Consensus LogP
1.34
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (32.3%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (16.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (87.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (12.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (30.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P233, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, and P501

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