Chemical identity

N-(4-nitrophenethyl)-2-phenylethanamine

CAS 1154949-80-0 · C16H18N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-20954
PubChem CID43519927
NameN-(4-nitrophenethyl)-2-phenylethanamine
CAS RN1154949-80-0
Molecular formulaC16H18N2O2
Molecular weight270.33 g/mol
IUPAC nameN-(4-nitrophenethyl)-2-phenylethanamine
InChIKeyFVUCJWNYDYBQSF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 43519927
2D structure: N-(4-nitrophenethyl)-2-phenylethanamine, CAS 1154949-80-0
Structure of N-(4-nitrophenethyl)-2-phenylethanamine (CAS 1154949-80-0). LazyChem record. Source identity: PubChem CID 43519927. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H18N2O2
InChIKeyFVUCJWNYDYBQSF-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=[N+](C1=CC=C(C=C1)CCNCCC2=CC=CC=C2)[O-]
InChIInChI=1S/C16H18N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2

03Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to N-(4-nitrophenethyl)-2-phenylethanamine, CAS 1154949-80-0
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1154949-80-0 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1154949-80-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Mirabegron

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources