CAS
98561-49-0 Purity
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98561-49-0 Purity
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2-Naphthalenecarboxylicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro-
CAS
98569-12-1
Catalog Number
ACM98569121
Category
Other Products
Molecular Weight
291.34
Molecular Formula
C16H21NO4
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Specification
Synonyms
ZINC01081330, ZINC04262326, CID7157174, 98569-12-1
IUPAC Name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C2C1)C(=O)O
InChI Key
DSDQZWPRZHNCIX-INIZCTEOSA-M
Boiling Point
472.2ºC at 760mmHg
Melting Point
185-187ºC
Flash Point
239.4ºC
Appearance
white to almost white granular crystalline powder
Exact Mass
291.14700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
24/25
What is the molecular formula of the compound with PubChem CID 2733177?
The molecular formula is C16H21NO4.
What are some synonyms of the compound?
Some synonyms include 2-(BOC-AMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID and 2-(TERT-BUTOXYCARBONYLAMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID.
When was the compound created in PubChem?
It was created on July 19, 2005.
What is the InChI key of the compound?
The InChI key is DSDQZWPRZHNCIX-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.7.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 291.14705815 g/mol.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 75.6 Ų.
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98567-12-5 Purity
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