2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol

HCID 268115

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Basic information

CAS: 39067-46-4
Standard SMILES: CC(C)(CO)CN1CCCC1
InChIKey: OVTMCBIZTDPCGB-UHFFFAOYSA-N
Molecular formula: C9H19NO
Average molar mass: 157.25 g/mol
Monoisotopic mass: 157.14666423

Names & identifiers

Preferred name: 2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
IUPAC: 2,2-dimethyl-3-pyrrolidin-1-ylpropan-1-ol
English name: beta,beta-Dimethyl-1-pyrrolidinepropanol
Molecular formula: C9H19NO
Molecular weight: 157.25

Names & synonyms

2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-OlBETA,BETA-DIMETHYL-1-PYRROLIDINEPROPANOLDTXSID40296187RefChem:441338DTXCID30247325881-800-439067-46-42,2-dimethyl-3-pyrrolidin-1-ylpropan-1-ol2,2-Dimethyl-3-pyrrolidin-1-yl-propan-1-olMFCD00085709NSC108214SCHEMBL3272365

Show more names

β,β-Dimethyl-1-pyrrolidinepropanol1-Pyrrolidinepropanol, β,β-dimethyl-

OVTMCBIZTDPCGB-UHFFFAOYSA-NPBA06746|A,|A-Dimethyl-1-pyrrolidinepropanol1-Pyrrolidinepropanol, b,b-dimethyl-AKOS011554081NSC 108214NSC-1082141-Pyrrolidinepropanol, beta,beta-dimethyl-

Database identifiers

CAS: 39067-46-4
PubChem CID: 268115
DTXSID: DTXSID40296187
EC Number: 881-800-4

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 117

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H335-H302-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H335-H302-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501