1,3-Adamantanediacetic acid
Catalog Number
ACM17768284-1
CAS
17768-28-4
IUPAC Name
2-[3-(carboxymethyl)-1-adamantyl]acetic acid
Synonyms
H2ADA
Application
This product is suitable for scientific research.
Molecular Weight
252.31
Molecular Formula
C14H20O4
Product Information
Canonical SMILES
OC(=O)C[C@@]12C[C@H]3C[C@@H](C1)C[C@@](C3)(CC(O)=O)C2
Inchi
1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)/t9-,10+,13-,14+
InChIKey
UTENGZNBNPABQE-IOQCUFBNSA-N
Melting Point
234-237 °C (lit.)
Purity
≥ 97%
Appearance
White to Light yellow powder to crystal
storage
Store under inert gas
Complexity
353
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
18
MDL Number
MFCD00191708
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
1884505
Rotatable Bond Count
4
Signal Word
Warning
Monoisotopic Mass
252.136159g/mol
Exact Mass
252.136159g/mol
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