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1-(Dimethylamino)cyclopropane-1-carboxylic acid

HCID 386199
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
119111-65-8
Standard SMILES
CN(C)C1(C(=O)O)CC1
InChIKey
NQAIVVRCFAMKLM-UHFFFAOYSA-N
Molecular formula
C6H11NO2
Average molar mass
129.16 g/mol
Monoisotopic mass
129.07897859

Names & identifiers

Preferred name
1-(Dimethylamino)cyclopropane-1-carboxylic acid
IUPAC
1-(dimethylamino)cyclopropane-1-carboxylic acid
English name
1-(Dimethylamino)cyclopropanecarboxylicacid
Molecular formula
C6H11NO2
Molecular weight
129.16

Names & synonyms

119111-65-81-(dimethylamino)cyclopropane-1-carboxylic acidRefChem:427724851-866-91-(dimethylamino)cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-(dimethylamino)-MFCD131885231-(N,N-dimethylamino)cyclopropanecarboxylic acid1-(Dimethylamino)cyclopropanecarboxylicacidNSC6779161-(Dimethylamino)SCHEMBL643056
Show more names
l-(N,N-dimethylamino)cyclopropanecarboxylic acid
CHEMBL20096881-(Dimethylamino)cyclopropanecarboxylic acid hydrochlorideNQAIVVRCFAMKLM-UHFFFAOYSA-NAKOS006379404CS-W021255DS-14453NCI60_027831SY114394

Database identifiers

CAS
119111-65-8
PubChem CID
386199
ChEMBL
CHEMBL2009688
EC Number
851-866-9

Properties

Computed structural properties

XLogP
-2.1
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Formal charge
0
Complexity
138

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Related reactions

4 records
New reaction record
HRID 683732 reaction equation
HRID 683732As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 826675 reaction equation
HRID 826675As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 912542 reaction equation
HRID 912542As reactantuspto-grants-2011_09
HRID 1643011 reaction equation
HRID 1643011As reactantuspto-grants-2012_02

Compound notes

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