4-(피롤리딘-1-YL)벤질라민

4-(Pyrrolidin-1-yl)benzylamine

HCID 7017834

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114365-04-7
표준 SMILES: NCc1ccc(N2CCCC2)cc1
InChIKey: OCVQUKOCFUOCBM-UHFFFAOYSA-N
분자식: C11H16N2
평균 분자량: 176.26 g/mol
단동위원소 질량: 176.13134852

이름 및 식별자

우선 이름: 4-(Pyrrolidin-1-yl)benzylamine
IUPAC: (4-pyrrolidin-1-ylphenyl)methanamine
현지명: 4-(피롤리딘-1-YL)벤질라민
영어명: 4-(PYRROLIDIN-1-YL)BENZYLAMINE
분자식: C11H16N2
분자량: 176.26

이름 및 동의어

4-(pyrrolidin-1-yl)benzylamineRefChem:516876641-311-7(4-(pyrrolidin-1-yl)phenyl)methanamine114365-04-74-Pyrrolidin-1-yl-benzylamine(4-pyrrolidin-1-ylphenyl)methanamine[4-(1-pyrrolidinyl)phenyl]methanamineMFCD04971090[4-(pyrrolidin-1-yl)phenyl]methanamineBenzenemethanamine, 4-(1-pyrrolidinyl)-1-[4-(pyrrolidin-1-yl)phenyl]methanamine

이름 더 보기

4-(피롤리딘-1-YL)벤질라민ST5334145AKOS B022103ART-CHEM-BB B022103(4-(Pyrrolidin-1-yl)4-(Pyrrolidin-1-yl)benzylamine97%4-(Pyrrolidin-1-yl)benzylamine 97%[4-(1-PYRROLIDINYL)PHENYL]METHYLAMINE

(4-pyrrolidinylphenyl)methylamine4-pyrrolidinobenzylamineSCHEMBL1125804-(1-pyrrolidinyl)benzylamineSCHEMBL4573969SCHEMBL27585374DTXSID40426907OCVQUKOCFUOCBM-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 114365-04-7
PubChem CID: 7017834
DTXSID: DTXSID40426907
EC Number: 641-311-7

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 47 · 47-50°
끓는 점: 327 · 327.0±25.0 °C(Predicted)
밀도: 1.075 · 1.075±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.66 · 9.66±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.