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CAS 116-25-6 1-(Hydroxymethyl)-5,5-dimethylhydantoin molecular structure lightbox
CAS RN: 116-25-6

1-(Hydroxymethyl)-5,5-dimethylhydantoin

  • Product code: SSC-016020
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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 116-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

116-25-6 / 1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

1-Monomethylol-5,5-dimethylhydantoin | RefChem:74700 | 1-(Hydroxymethyl)-5,5-dimethylhydantoin

Standard CAS: 116-25-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
116-25-6
Multi CAS
No
Molecular Formula
C6H10N2O3
Molecular Weight
158.160000
Exact Mass
158.069142
SMILES
CC1(C(=O)NC(=O)N1CO)C
InChI
InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)
InChIKey
SIQZJFKTROUNPI-UHFFFAOYSA-N
Synonyms
1-Monomethylol-5,5-dimethylhydantoin RefChem:74700 1-(Hydroxymethyl)-5,5-dimethylhydantoin MDM Hydantoin 1-Hydroxymethyl-5,5-dimethylhydantoin

Physical Properties

Melting Point
110 - 117 °C
Physical Description
Dry Powder Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.54
TPSA
69.64

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.3
Consensus LogP
-0.56
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.21

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (42.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (18.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (27.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (18.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Not Classified
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501

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